1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one

C16H24N2O — CID 43165250

IUPAC1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC(C)(C)C(N)CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,3)14(17)11-18-13-9-5-4-7-12(13)8-6-10-15(18)19/h4-5,7,9,14H,6,8,10-11,17H2,1-3H3
InChIKeyVZUIIWOTXAUGSO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds2

About 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one

1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 43165250) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID43165250
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC(C)(C)C(N)CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,3)14(17)11-18-13-9-5-4-7-12(13)8-6-10-15(18)19/h4-5,7,9,14H,6,8,10-11,17H2,1-3H3
InChIKeyVZUIIWOTXAUGSO-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-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

1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-[2-(methylamino)butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 62041220
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
1-[3-(ethylamino)-2-hydroxypropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43343208
1-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388012
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342817
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
tert-butyl 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetate
CID 143520690
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 43165250) is 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one is CC(C)(C)C(N)CN1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is VZUIIWOTXAUGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)14(17)11-18-13-9-5-4-7-12(13)8-6-10-15(18)19/h4-5,7,9,14H,6,8,10-11,17H2,1-3H3.
What are the key properties of 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one?
1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 43165250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).