(1R,4R)-cyclohexane-1,4-diamine | SBID = 431 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| 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: | 94.0 | ||
| Sum Formula: | C6H14N2 | ||
| M / g/mol: | 114.192 | ||
| Complexity: | 54.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: (1R,4R)-cyclohexane-1,4-diamine
- Preferred Abbreviation: 1,4‐diaminocyclohexane
- IUPAC Name: cyclohexane-1,4-diamine
- CAS: 2615-25-0
- CID: 18374
- InChiKey: VKIRRGRTJUUZHS-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2
- CanoSmiles: C1CC(CCC1N)N
- IsoSmiles: C1CC(CCC1N)N
