5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C13H19N3O — CID 84627546

IUPAC5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCCc1cccc2c1N(CCN)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-2-10-4-3-5-11-13(10)16(9-7-14)8-6-12(17)15-11/h3-5H,2,6-9,14H2,1H3,(H,15,17)
InChIKeySMOVNYDVQSCYEP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.36
Rot. Bonds3

About 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 84627546) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID84627546
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCCc1cccc2c1N(CCN)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-2-10-4-3-5-11-13(10)16(9-7-14)8-6-12(17)15-11/h3-5H,2,6-9,14H2,1H3,(H,15,17)
InChIKeySMOVNYDVQSCYEP-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminoethyl)-6-ethyl-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-(3-aminopropyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84632917
1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84629565
1-(3-aminopropyl)-7-ethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84632876
5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627467
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
CID 115096457
2-(6-chloro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 84635462
5-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098284
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79778174
1-(2-aminoethyl)-6,8-dimethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84627555
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 82744396
5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115554226

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 84627546) is 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is CCc1cccc2c1N(CCN)CCC(=O)N2.
What is the InChIKey of 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is SMOVNYDVQSCYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-10-4-3-5-11-13(10)16(9-7-14)8-6-12(17)15-11/h3-5H,2,6-9,14H2,1H3,(H,15,17).
What are the key properties of 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 84627546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).