Protonated DBN | SBID = 1746 | 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: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C7H13N2 | ||
| M / g/mol: | 125.19152 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Protonated DBN
- Preferred Abbreviation: DBNH+
- IUPAC Name:
- CAS:
- CID: -700
- InChiKey: QVWCUNNFKDFFIK-UHFFFAOYSA-N
- InChi: InChI=1S/C7H13N2/c1-3-7-4-2-6(1)5-8-9-7/h6-8H,1-5H2
- CanoSmiles: [NH]1=NC2CCC(C1)CC2
- IsoSmiles: C1CC2CCC1C[NH]=N2
