[[2,6-Bis(dimethylaminomethyl)cyclohexylidene]amino] benzoate
Basic information
- CAS
746577-61-7- Standard SMILES
CN(C)CC1CCCC(CN(C)C)C1=NOC(=O)c1ccccc1- InChIKey
HSPCHYYKUJBEPS-UHFFFAOYSA-N- Molecular formula
- C19H29N3O2
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.22597718
Names & identifiers
- Preferred name
- [[2,6-Bis(dimethylaminomethyl)cyclohexylidene]amino] benzoate
- IUPAC
- [[2,6-bis[(dimethylamino)methyl]cyclohexylidene]amino] benzoate
Names & synonyms
NSC651592[[2,6-bis(dimethylaminomethyl)cyclohexylidene]amino] benzoate[({2,6-bis[(dimethylamino)methyl]cyclohexylidene}amino)oxy](phenyl)methanoneCHEMBL2010449DTXSID001192751746577-61-7NCI60_0179882,6-Bis[(dimethylamino)methyl]cyclohexanone O-benzoyloxime2,6-Bis((dimethylamino)methyl)cyclohexanone O-benzoyloxime hydrochloride
Database identifiers
- CAS
746577-61-7- PubChem CID
- 374141
- DTXSID
DTXSID001192751- ChEMBL
CHEMBL2010449- Nikkaji
- J550.597F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
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Related reactions
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Compound notes
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