3-Hydroxyadamantan-1-aminium | SBID = 460 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C10H18NO+ | ||
| M / g/mol: | 168.26 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: cation, typical guest
- Name: 3-Hydroxyadamantan-1-aminium
- Preferred Abbreviation: 3-Hydroxyadamantan-1-aminium
- IUPAC Name: (1r,3s,5R,7S)-3-hydroxyadamantan-1-aminium
- CAS:
- CID: -98
- InChiKey: DWPIPTNBOVJYAD-FIRGSJFUSA-O
- InChi: InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/p+1/t7-,8+,9+,10-
- CanoSmiles: O[C@]1(C2)C[C@@H]3C[C@H](C1)C[C@@]2([NH3+])C3
- IsoSmiles: O[C@]1(C2)C[C@@H]3C[C@H](C1)C[C@@]2([NH3+])C3
