4-aminodiamantane | SBID = 1059 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| 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: | 150.7 | ||
| Sum Formula: | C14H21N | ||
| M / g/mol: | 203.32 | ||
| Complexity: | 268.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 4-aminodiamantane
- Preferred Abbreviation: 4-aminodiamantane
- IUPAC Name: pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-amine
- CAS:
- CID: 15635896
- InChiKey: IRZSXXANDDTGDD-UHFFFAOYSA-N
- InChi: InChI=1S/C14H21N/c15-14-4-11-8-1-7-2-9(11)13(6-14)10(3-7)12(8)5-14/h7-13H,1-6,15H2
- CanoSmiles: C1C2CC3C4C1C5CC(C4)(CC3C5C2)N
- IsoSmiles: C1C2CC3C4C1C5CC(C4)(CC3C5C2)N
