1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene | SBID = 1743 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 24.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| 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: | 135.0 | ||
| Sum Formula: | C10H18N2 | ||
| M / g/mol: | 166.26 | ||
| Complexity: | 210.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: typical guest
- Name: 1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene
- Preferred Abbreviation: 1-isopropyl-4-methyl-diazabicyclooctaene
- IUPAC Name: 1-methyl-4-propan-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene
- CAS:
- CID: 45096295
- InChiKey: GAWVEZJEYQKBTK-UHFFFAOYSA-N
- InChi: InChI=1S/C10H18N2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h8H,4-7H2,1-3H3
- CanoSmiles: CC(C)C12CCC(CC1)(N=N2)C
- IsoSmiles: CC(C)C12CCC(CC1)(N=N2)C
