Basic information
- CAS
745776-54-9- Standard SMILES
C[C@@H]1[C@H](C)CCC[C@@H]1N- InChIKey
LKWOOKWVBNSLGN-PRJMDXOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
Names & identifiers
- Preferred name
- (1S,2R,3R)-2,3-dimethylcyclohexan-1-amine
- IUPAC
- (1S,2R,3R)-2,3-dimethylcyclohexan-1-amine
- English name
- Cyclohexanamine, 2,3-dimethyl-, [1S-(1alpha,2alpha,3alpha)]- (9CI)
- Molecular formula
- C8H17N
- Molecular weight
- 127.22728
Names & synonyms
SCHEMBL15506653(1S,2R,3R)-2,3-dimethylcyclohexan-1-amineCyclohexanamine, 2,3-dimethyl-, [1S-(1alpha,2alpha,3alpha)]- (9CI)
Database identifiers
- CAS
745776-54-9- Nikkaji
- J907.909B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.6
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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