5-Dimethylaminomethyleneaminoisoquinoline
Basic information
- CAS
101398-66-7- Standard SMILES
CN(C)C=Nc1cccc2cnccc12- InChIKey
YPZWGHLZEZRUQC-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094743
Names & identifiers
- Preferred name
- 5-Dimethylaminomethyleneaminoisoquinoline
- IUPAC
- N'-isoquinolin-5-yl-N,N-dimethylmethanimidamide
Names & synonyms
NSC6656785-DimethylaminomethyleneaminoisoquinolineFORMAMIDINE, N,N-DIMETHYL-N'-(5-ISOQUINOLINYL)-101398-66-7CHEMBL1965502NSC-665678NCI60_022665N'-(5-isoquinolyl)-N,N-dimethyl-formamidineN'-(5-Isoquinolinyl)-N,N-dimethylimidoformamide
Database identifiers
- CAS
101398-66-7- PubChem CID
- 58289
- ChEMBL
CHEMBL1965502- Nikkaji
- J69.641B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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