Basic information
- Standard SMILES
CCOC(=O)C1(NC2CC[C@@H](N)[C@@H](N)C2)CC1.Cl- InChIKey
HXTYATZOYLIZOV-FAPGMENUSA-N- Molecular formula
- C12H24ClN3O2
- Average molar mass
- 277.79 g/mol
Names & identifiers
- Preferred name
- (1R*,2S*)-4-[(1-ethoxycarbonyl)cyclopropan-1-yl]amino-1,2-cyclohexanediamine hydrochloride
- IUPAC
- ethyl 1-[[(3S,4R)-3,4-diaminocyclohexyl]amino]cyclopropane-1-carboxylate;hydrochloride
Names & synonyms
SCHEMBL4094099HXTYATZOYLIZOV-FAPGMENUSA-N(1R*,2S*)-4-[(1-ethoxycarbonyl)cyclopropan-1-yl]amino-1,2-cyclohexanediamine hydrochloride(1R*,2S*)-4-[(1-ethoxycarbonyl)cyclopropan-1-yl]amino-1,2-cyclohexane-diamine hydrochloride
Database identifiers
- PubChem CID
- 68909600
Properties
Computed structural properties
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
2 records
Compound notes
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