2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one

C15H21NO — CID 63663059

IUPAC2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(17)16-10-6-9-12-7-4-5-8-13(12)11-16/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyVEEKJZGUBWUDEN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.01
Rot. Bonds

About 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one

2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one (PubChem CID 63663059) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one
PubChem CID63663059
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(17)16-10-6-9-12-7-4-5-8-13(12)11-16/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyVEEKJZGUBWUDEN-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-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

Related Compounds

Tebutam
CID 92299
2-Methyl-N,N-diethylbenzamide
CID 75945
1-Benzylazepan-2-one
CID 1491068
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
LOX inhibitor, 13
CID 123131598
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
N-benzyl-N,2,2-trimethylbutanamide
CID 4634732
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
1-(4-Benzyl-4-methyl-1,4-diazepan-4-ium-1-yl)tetradecan-1-one bromide
CID 71524039
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one (CID 63663059) is 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one is CC(C)(C)C(=O)N1CCCc2ccccc2C1.
What is the InChIKey of 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one?
The InChIKey is VEEKJZGUBWUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)14(17)16-10-6-9-12-7-4-5-8-13(12)11-16/h4-5,7-8H,6,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one?
2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-one is sourced from PubChem (CID 63663059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).