N-cyclohexylcyclohexanamine;2-(ethenoxycarbonylamino)-4-methylpentanoic acid
Basic information
- CAS
39897-28-4- Standard SMILES
C1CCC(NC2CCCCC2)CC1.C=COC(=O)NC(CC(C)C)C(=O)O- InChIKey
RLILXIRWGOOOFS-UHFFFAOYSA-N- Molecular formula
- C21H38N2O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.2831577
Names & identifiers
- Preferred name
- N-cyclohexylcyclohexanamine;2-(ethenoxycarbonylamino)-4-methylpentanoic acid
- IUPAC
- N-cyclohexylcyclohexanamine;2-(ethenoxycarbonylamino)-4-methylpentanoic acid
Names & synonyms
NSC133265NSC-13326539897-28-4
Database identifiers
- CAS
39897-28-4- PubChem CID
- 280920
Properties
Computed structural properties
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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