(S)-(+)-1-Cyclohexylethylamine | SBID = 117 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 109.2 | ||
| Sum Formula: | C8H17N | ||
| M / g/mol: | 127.231 | ||
| Complexity: | 74.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: (S)-(+)-1-Cyclohexylethylamine
- Preferred Abbreviation: (S)-(+)-1-Cyclohexylethylamine
- IUPAC Name: (1S)-1-cyclohexylethanamine
- CAS: 17430-98-7
- CID: 5325951
- InChiKey: XBWOPGDJMAJJDG-ZETCQYMHSA-N
- InChi: InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1
- CanoSmiles: CC(C1CCCCC1)N
- IsoSmiles: C[C@@H](C1CCCCC1)N
