1,4-diazabicyclo[2.2.2]octane | SBID = 1108 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 6.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | 87.0 | ||
| Sum Formula: | C6H12N2 | ||
| M / g/mol: | 112.17 | ||
| Complexity: | 61.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 1,4-diazabicyclo[2.2.2]octane
- Preferred Abbreviation: 1,4-diazabicyclo[2.2.2]octane
- IUPAC Name: 1,4-diazabicyclo[2.2.2]octane
- CAS: 280-57-9
- CID: 9237
- InChiKey: IMNIMPAHZVJRPE-UHFFFAOYSA-N
- InChi: InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
- CanoSmiles: C1CN2CCN1CC2
- IsoSmiles: C1CN2CCN1CC2
