Cyclohexylmethanaminium | SBID = 504 | Compound |
Structure
Molecular Properties
| Interactions: | 17 | ||
| PubChem TPSA/Å2: | 27.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 96.9 | ||
| Sum Formula: | C7H16N+ | ||
| M / g/mol: | 114.21 | ||
| Complexity: | 55.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags: cation, typical guest, charged
- Name: Cyclohexylmethanaminium
- Preferred Abbreviation: Cyclohexylmethanaminium
- IUPAC Name: cyclohexylmethylazanium
- CAS: 3218-02-8
- CID: 448748
- InChiKey: AVKNGPAMCBSNSO-UHFFFAOYSA-O
- InChi: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2/p+1
- CanoSmiles: C1CCC(CC1)C[NH3+]
- IsoSmiles: C1CCC(CC1)C[NH3+]
