10-(3-Dimethylaminopropyl)-10,11-dihydro-(5H)-dibenzo-(b,E)(1,4)-diazepine

HCID 20948

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Basic information

CAS: 2204-57-1
Standard SMILES: CN(C)CCCN1Cc2ccccc2Nc2ccccc21
InChIKey: CGDLRXBBGWBJAK-UHFFFAOYSA-N
Molecular formula: C18H23N3
Average molar mass: 281.4 g/mol
Monoisotopic mass: 281.18919775

Names & identifiers

Preferred name: 10-(3-Dimethylaminopropyl)-10,11-dihydro-(5H)-dibenzo-(b,E)(1,4)-diazepine
IUPAC: 3-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine

Names & synonyms

3RKH04FSV1UNII-3RKH04FSV110-(3-Dimethylaminopropyl)-10,11-dihydro-(5H)-dibenzo-(b,E)(1,4)-diazepine2204-57-110H-Dibenzo(b,E)(1,4)diazepine-10-propanamine, 5,11-dihydro-N,N-dimethyl-5,11-Dihydro-N,N-dimethyl-10H-dibenzo(b,E)(1,4)diazepine-10-propanamine

Database identifiers

CAS: 2204-57-1
PubChem CID: 20948
UNII: 3RKH04FSV1

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 318

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