1,4-Diazepane | SBID = 1606 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 24.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.5 | ||
| 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: | 79.9 | ||
| Sum Formula: | C5H12N2 | ||
| M / g/mol: | 100.16 | ||
| Complexity: | 39.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: 1,4-Diazepane
- Preferred Abbreviation: Homopiperazine
- IUPAC Name: 1,4-diazepane
- CAS: 505-66-8
- CID: 68163
- InChiKey: FQUYSHZXSKYCSY-UHFFFAOYSA-N
- InChi: InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
- CanoSmiles: C1CNCCNC1
- IsoSmiles: C1CNCCNC1
