Adamantane-1,3-diamine | SBID = 570 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 124.9 | ||
| Sum Formula: | C10H18N2 | ||
| M / g/mol: | 166.26 | ||
| Complexity: | 190.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Adamantane-1,3-diamine
- Preferred Abbreviation: Adamantane-1,3-diamine
- IUPAC Name: adamantane-1,3-diamine
- CAS: 10303-95-4
- CID: 213512
- InChiKey: FOLJMFFBEKONJP-UHFFFAOYSA-N
- InChi: InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2
- CanoSmiles: C1C2CC3(CC1CC(C2)(C3)N)N
- IsoSmiles: C1C2CC3(CC1CC(C2)(C3)N)N
