N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine) | SBID = 423 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 30.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 284.5 | ||
| Sum Formula: | C20H42N4 | ||
| M / g/mol: | 338.584 | ||
| Complexity: | 295.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine)
- Preferred Abbreviation: N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine)
- IUPAC Name: N-[[4-[[3-(dimethylamino)propylamino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]-N',N'-dimethylpropane-1,3-diamine
- CAS:
- CID: 101801290
- InChiKey: NZDWFEYOBDDIQQ-UHFFFAOYSA-N
- InChi: InChI=1S/C20H42N4/c1-23(2)15-5-13-21-17-19-7-10-20(11-8-19,12-9-19)18-22-14-6-16-24(3)4/h21-22H,5-18H2,1-4H3
- CanoSmiles: CN(C)CCCNCC12CCC(CC1)(CC2)CNCCCN(C)C
- IsoSmiles: CN(C)CCCNCC12CCC(CC1)(CC2)CNCCCN(C)C
