Protonated 1-isopropyl-4-methyl-DBO | SBID = 1747 | 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: | C10H19N2 | ||
| M / g/mol: | 167.27126 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Protonated 1-isopropyl-4-methyl-DBO
- Preferred Abbreviation: Protonated 1-isopropyl-4-methyl-DBO
- IUPAC Name:
- CAS:
- CID: -701
- InChiKey: QQWQKAXHUPWKPB-UHFFFAOYSA-N
- InChi: InChI=1S/C10H19N2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h8,11H,4-7H2,1-3H3
- CanoSmiles: CC(C12CCC(CC1)([NH]=N2)C)C
- IsoSmiles: CC(C)C12CCC(C)(CC1)[NH]=N2
