Cyclohexanemethylamine | SBID = 780 | Compound |
Structure
Molecular Properties
| Interactions: | 15 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| 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: | 97.8 | ||
| Sum Formula: | C7H15N | ||
| M / g/mol: | 113.2 | ||
| Complexity: | 55.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: Cyclohexanemethylamine
- Preferred Abbreviation: Cyclohexanemethylamine
- IUPAC Name: cyclohexylmethanamine
- CAS: 3218-02-8
- CID: 76688
- InChiKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
- InChi: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
- CanoSmiles: C1CCC(CC1)CN
- IsoSmiles: C1CCC(CC1)CN
