Basic information
- Standard SMILES
N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1- InChIKey
QCHGPWDFRLYQLQ-RWMBFGLXSA-N- Molecular formula
- C13H25NO2
- Average molar mass
- 227.34 g/mol
Names & identifiers
- Preferred name
- (1S,2R,3S)-3-amino-4-cyclohexyl-1-cyclopropyl-1,2-butanediol
- IUPAC
- (1S,2R,3S)-3-amino-4-cyclohexyl-1-cyclopropylbutane-1,2-diol
Names & synonyms
SCHEMBL1368930SCHEMBL7282037QCHGPWDFRLYQLQ-RWMBFGLXSA-N(1S,2R,3S)-3-amino--4-cyclohexyl-1-cyclopropyl-1,2-butanediol(1S,2R,3S)-3-amino-4-cyclohexyl-1-cyclopropyl-1,2-butanediol(1S,2R,3S)-3-amino-4-cyclohexyl-1-cyclopropyl-butane-1,2-diol(1S,2R,3S)-3-amino-4-cyclohexyl-1-cyclopropyl-l,2-butanediol
Database identifiers
- PubChem CID
- 14930738
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Related reactions
17 records
Compound notes
Loading…