1,5-diazacyclooctane | SBID = 1607 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 24.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.1 | ||
| 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: | 91.3 | ||
| Sum Formula: | C6H14N2 | ||
| M / g/mol: | 114.19 | ||
| Complexity: | 42.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: 1,5-diazacyclooctane
- Preferred Abbreviation: 1,5-diazacyclooctane
- IUPAC Name: 1,5-diazocane
- CAS:
- CID: 5248373
- InChiKey: HTSQWLLKIZBMEO-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14N2/c1-3-7-5-2-6-8-4-1/h7-8H,1-6H2
- CanoSmiles: C1CNCCCNC1
- IsoSmiles: C1CNCCCNC1
