2-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine
Basic information
- CAS
5431-62-9- Standard SMILES
CCC(CNc1cc(OC)cc2cccnc12)NC1CCCCC1- InChIKey
BQBNRUUEFJVRMO-UHFFFAOYSA-N- Molecular formula
- C20H29N3O
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.23106256
Names & identifiers
- Preferred name
- 2-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine
- IUPAC
- 2-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine
Names & synonyms
MLS0007374242-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine5431-62-9SMR000528139NSC13616n2-cyclohexyl-n1-(6-methoxyquinolin-8-yl)butane-1,2-diaminecid_224810CHEMBL1570497BDBM63813HMS2880E15NSC-13616DS-002438
Show more names
SR-01000763636SR-01000763636-2N2-cyclohexyl-N1-(6-methoxy-8-quinolinyl)butane-1,2-diaminecyclohexyl-[1-[[(6-methoxy-8-quinolyl)amino]methyl]propyl]amine
Database identifiers
- CAS
5431-62-9- PubChem CID
- 224810
- ChEMBL
CHEMBL1570497
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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