1,3-Dimethylbutylamine
| 1,3-DMBA | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Rotamer [] | |
|---|---|
| Conformer structure via 3Dmol.js |
| Physical properties [] | |
|---|---|
| Molecular mass | 101.19 g/mol [1] |
| Density | 0.75 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm3 [1] |
| Boiling point | 223 to 228 °F at 760 mmHg (NTP, 1992) [1] |
| Predicted LogP | 1.4 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C6H15N [1] |
| IUPAC name | 4-methylpentan-2-amine [1] |
| SMILES | CC(C)CC(C)N [1] |
| InChI | InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3 [1] |
| InChIKey | UNBMPKNTYKDYCG-UHFFFAOYSA-N [1] |
1,3-Dimethylbutylamine (also known as 1,3-Dimethylbutylamine, 2-Amino-4-methylpentane, 4-Methyl-2-aminopentane, 1,3-Dimethylbutanamine, Butylamine, 1,3-dimethyl-, 1,3-Dimethyl butylamine, 4-amino-2-methylpentane, Dtxsid4025113, 4-amino-2-pentanamine or NSC-48080)
Chemistry
Stereochemistry []
1,3-Dimethylbutylamine is a racemic mixture of the enantiomers.
| Stereoisomerism |
|---|
| Stereoisomer enumberation with rdkit |
Subjective effects []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 7908, 1,3-Dimethylbutylamine. Accessed May 5, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/7908
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 1,3-Dimethylbutylamine. UNII: KXP599H5R6. Global Substance Registration System. Accessed May 5, 2026. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KXP599H5R6