Basic information
- CAS
1216254-94-2- Standard SMILES
CN(C1CCCCCC1)C1CCCCCCC1N- InChIKey
XNVGTMLHWWUDSD-UHFFFAOYSA-N- Molecular formula
- C16H32N2
- Average molar mass
- 252.44 g/mol
- Monoisotopic mass
- 252.25654903
Names & identifiers
- Preferred name
- N1-Cycloheptyl-N1-methyl-1,2-cyclooctanediamine
- IUPAC
- 2-N-cycloheptyl-2-N-methylcyclooctane-1,2-diamine
Names & synonyms
N1-Cycloheptyl-N1-methyl-1,2-cyclooctanediamineDTXSID9012416421216254-94-2N~1~-Cycloheptyl-N~1~-methylcyclooctane-1,2-diamine
Database identifiers
- CAS
1216254-94-2- PubChem CID
- 43614031
- DTXSID
DTXSID901241642
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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