1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium | SBID = 1235 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 35.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 3.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 189.4 | ||
| Sum Formula: | C14H20N3+3 | ||
| M / g/mol: | 230.33 | ||
| Complexity: | 204.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: 1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium
- Preferred Abbreviation: 1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium
- IUPAC Name: 3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propylazanium
- CAS:
- CID: 102464544
- InChiKey: YOBXDPRWYTVFFK-UHFFFAOYSA-O
- InChi: InChI=1S/C14H19N3/c1-16-9-3-13(4-10-16)14-5-11-17(12-6-14)8-2-7-15/h3-6,9-12H,2,7-8,15H2,1H3/q+2/p+1
- CanoSmiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC[NH3+]
- IsoSmiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC[NH3+]
