1-Heptylamine | SBID = 1002 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 106.1 | ||
| Sum Formula: | C7H17N | ||
| M / g/mol: | 115.22 | ||
| Complexity: | 35.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aliphatic
- Name: 1-Heptylamine
- Preferred Abbreviation: 1-Heptylamine
- IUPAC Name: heptan-1-amine
- CAS: 111-68-2
- CID: 8127
- InChiKey: WJYIASZWHGOTOU-UHFFFAOYSA-N
- InChi: InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
- CanoSmiles: CCCCCCCN
- IsoSmiles: CCCCCCCN
