2,3-diazabicyclo[2.2.2]oct-2-en-1-ylmethanamine | SBID = 1741 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C7H13N3 | ||
| M / g/mol: | 139.19822 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 2,3-diazabicyclo[2.2.2]oct-2-en-1-ylmethanamine
- Preferred Abbreviation: 2,3-diazabicyclo[2.2.2]oct-2-en-1-ylmethanamine
- IUPAC Name:
- CAS:
- CID: -696
- InChiKey: BOMSDKXTRYFOBE-UHFFFAOYSA-N
- InChi: InChI=1S/C7H13N3/c8-5-7-3-1-6(2-4-7)9-10-7/h6H,1-5,8H2
- CanoSmiles: NCC12CCC(CC1)N=N2
- IsoSmiles: NCC12CCC(CC1)N=N2
