4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one

C15H23N3O — CID 119893341

IUPAC4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one
SMILESCC1CN(C)c2ccccc2CN1C(=O)CCCN
InChIInChI=1S/C15H23N3O/c1-12-10-17(2)14-7-4-3-6-13(14)11-18(12)15(19)8-5-9-16/h3-4,6-7,12H,5,8-11,16H2,1-2H3
InChIKeyFLNAFYQXCYNOCU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.59
Rot. Bonds3

About 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one

4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one (PubChem CID 119893341) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one
PubChem CID119893341
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one
SMILESCC1CN(C)c2ccccc2CN1C(=O)CCCN
InChIInChI=1S/C15H23N3O/c1-12-10-17(2)14-7-4-3-6-13(14)11-18(12)15(19)8-5-9-16/h3-4,6-7,12H,5,8-11,16H2,1-2H3
InChIKeyFLNAFYQXCYNOCU-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one?
The IUPAC name of 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one (CID 119893341) is 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one is CC1CN(C)c2ccccc2CN1C(=O)CCCN.
What is the InChIKey of 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one?
The InChIKey is FLNAFYQXCYNOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-10-17(2)14-7-4-3-6-13(14)11-18(12)15(19)8-5-9-16/h3-4,6-7,12H,5,8-11,16H2,1-2H3.
What are the key properties of 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one?
4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one is sourced from PubChem (CID 119893341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).