8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H22N2O — CID 164924976

IUPAC8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC(C)NCCc1ccc2c(c1)NC(=O)CCC2
InChIInChI=1S/C15H22N2O/c1-11(2)16-9-8-12-6-7-13-4-3-5-15(18)17-14(13)10-12/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyHUYLFZVEYRGNFQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.50
Rot. Bonds4

About 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 164924976) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID164924976
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC(C)NCCc1ccc2c(c1)NC(=O)CCC2
InChIInChI=1S/C15H22N2O/c1-11(2)16-9-8-12-6-7-13-4-3-5-15(18)17-14(13)10-12/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyHUYLFZVEYRGNFQ-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-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

N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
CID 115105185
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57076404
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
7-[2-(1-aminocyclopropyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 105488328
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-carbaldehyde
CID 23558916

Frequently Asked Questions

What is the IUPAC name of 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 164924976) is 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is CC(C)NCCc1ccc2c(c1)NC(=O)CCC2.
What is the InChIKey of 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is HUYLFZVEYRGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)16-9-8-12-6-7-13-4-3-5-15(18)17-14(13)10-12/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 164924976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).