Basic information
- CAS
1227-62-9- Standard SMILES
CC(C)CCNCC1CCC(CNCCC(C)C)CC1.Cl.Cl- InChIKey
OSGHSYGGTOXWEY-UHFFFAOYSA-N- Molecular formula
- C18H40Cl2N2
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 354.2568547
Names & identifiers
- Preferred name
- 1,4-Cyclohexanebis(methylamine), N,N'-diisopentyl-, dihydrochloride
- IUPAC
- 3-methyl-N-[[4-[(3-methylbutylamino)methyl]cyclohexyl]methyl]butan-1-amine;dihydrochloride
Names & synonyms
N,N'-Diisopentyl-1,4-cyclohexanebis(methylamine) dihydrochlorideN,N'-(1,4-Cyclohexylenedimethylene)diisopentylamine dihydrochloride1227-62-91,4-Cyclohexanebis(methylamine), N,N'-diisopentyl-, dihydrochlorideIsopentylamine, N,N'-(1,4-cyclohexylenedimethylene)di-, dihydrochlorideRefChem:220347DTXSID00924237N,N'-[Cyclohexane-1,4-diylbis(methylene)]bis(3-methylbutan-1-amine)--hydrogen chloride (1/2)
Database identifiers
- CAS
1227-62-9- PubChem CID
- 71048
- DTXSID
DTXSID00924237
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…