5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C14H21N3O — CID 84632917

IUPAC5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1C)N(CCCN)CCC(=O)N2
InChIInChI=1S/C14H21N3O/c1-10-4-5-12-14(11(10)2)17(8-3-7-15)9-6-13(18)16-12/h4-5H,3,6-9,15H2,1-2H3,(H,16,18)
InChIKeyZUABAEMJLKYOLY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.80
Rot. Bonds3

About 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 84632917) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID84632917
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1C)N(CCCN)CCC(=O)N2
InChIInChI=1S/C14H21N3O/c1-10-4-5-12-14(11(10)2)17(8-3-7-15)9-6-13(18)16-12/h4-5H,3,6-9,15H2,1-2H3,(H,16,18)
InChIKeyZUABAEMJLKYOLY-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-aminoethyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627563
5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627546
1-(3-aminopropyl)-7-ethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84632876
3-(7-chloro-6-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propanoic acid
CID 84643022
11-(3-aminopropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one
CID 18334599
3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 83752989
5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627467
5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one
CID 22449505
N-(3-aminopropyl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119407918
1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84629565
3-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propanoic acid
CID 84638868
1-(2-aminoethyl)-6,8-dimethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84627555

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 84632917) is 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is Cc1ccc2c(c1C)N(CCCN)CCC(=O)N2.
What is the InChIKey of 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is ZUABAEMJLKYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-5-12-14(11(10)2)17(8-3-7-15)9-6-13(18)16-12/h4-5H,3,6-9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 84632917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).