1-Amino-2-methylbutane Details
:
IUPAC Name
2-Methylbutylamine
:Chemical Class
Alkane
:CAS Registry Number
64-04-0
:Description
:Fragrance Type
fishy
Physical and Chemical properties
| PUBCHEM ID | 7283 |
| Molecular Weight (g/mol) | 87.166 |
| Molecular Formula | C8H11N |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| IUPAC Name | 2-Methylbutylamine |
| Canonical SMILES | CCC(C)CN |
| PUBCHEM IUPAC INCHIKEY | BHHGXPLMPWCGHP-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -0.911 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 102.11 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Single-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 0.355158 |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 64-04-0 | ADRA1A | Homo sapiens | phenethylamine binds to and results in decreased activity of ADRA1A protein | affects^binding|decreases^activity | 20217639 |
| 2 | 64-04-0 | ADRA2A | Homo sapiens | phenethylamine binds to ADRA2A protein | affects^binding | 20217639 |
| 3 | 64-04-0 | ADRA2C | Homo sapiens | phenethylamine binds to ADRA2C protein | affects^binding | 20217639 |
| 4 | 64-04-0 | MAOB | Oryctolagus cuniculus | phenethylamine results in increased activity of MAOB protein | increases^activity | 17561096 |
| 5 | 64-04-0 | SLC6A2 | Homo sapiens | SLC6A2 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] | increases^activity|increases^reaction | 17234900 |
| 6 | 64-04-0 | SLC6A3 | Homo sapiens | SLC6A3 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] | increases^activity|increases^reaction | 17234900 |
| 7 | 64-04-0 | SLC6A4 | Homo sapiens | SLC6A4 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] | increases^activity|increases^reaction | 17234900 |
| 8 | 64-04-0 | TAAR1 | Homo sapiens | phenethylamine results in increased activity of TAAR1 protein | increases^activity | 19725810 |
| 9 | 64-04-0 | TAAR1 | Homo sapiens | [phenethylamine results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP | increases^abundance|increases^activity | 19725810 |
| 10 | 64-04-0 | TAAR1 | Macaca mulatta | phenethylamine binds to and results in increased activity of TAAR1 protein | affects^binding|increases^activity | 15764732 |
| 11 | 64-04-0 | TAAR1 | Macaca mulatta | [phenethylamine binds to and results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP | affects^binding|increases^abundance|increases^activity | 15764732 |
| 12 | 64-04-0 | ADRA1A | Homo sapiens | phenethylamine binds to and results in decreased activity of ADRA1A protein | affects^binding|decreases^activity | 20217639 |
| 13 | 64-04-0 | ADRA2A | Homo sapiens | phenethylamine binds to ADRA2A protein | affects^binding | 20217639 |
| 14 | 64-04-0 | ADRA2C | Homo sapiens | phenethylamine binds to ADRA2C protein | affects^binding | 20217639 |
| 15 | 64-04-0 | MAOB | Oryctolagus cuniculus | phenethylamine results in increased activity of MAOB protein | increases^activity | 17561096 |
| 16 | 64-04-0 | SLC6A2 | Homo sapiens | SLC6A2 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] | increases^activity|increases^reaction | 17234900 |
| 17 | 64-04-0 | SLC6A3 | Homo sapiens | SLC6A3 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] | increases^activity|increases^reaction | 17234900 |
| 18 | 64-04-0 | SLC6A4 | Homo sapiens | SLC6A4 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] | increases^activity|increases^reaction | 17234900 |
| 19 | 64-04-0 | TAAR1 | Homo sapiens | phenethylamine results in increased activity of TAAR1 protein | increases^activity | 19725810 |
| 20 | 64-04-0 | TAAR1 | Homo sapiens | [phenethylamine results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP | increases^abundance|increases^activity | 19725810 |
| 21 | 64-04-0 | TAAR1 | Macaca mulatta | phenethylamine binds to and results in increased activity of TAAR1 protein | affects^binding|increases^activity | 15764732 |
| 22 | 64-04-0 | TAAR1 | Macaca mulatta | [phenethylamine binds to and results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP | affects^binding|increases^abundance|increases^activity | 15764732 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 64-04-0 | 1-Amino-2-methylbutane |
Compound Image
2D Structure
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