3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one

C15H22N2O — CID 23554892

IUPAC3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one
SMILESCCN1C(=O)C(NC)c2ccccc2CC1(C)C
InChIInChI=1S/C15H22N2O/c1-5-17-14(18)13(16-4)12-9-7-6-8-11(12)10-15(17,2)3/h6-9,13,16H,5,10H2,1-4H3
InChIKeyOSBYRBRKIYLWCV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds2

About 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one

3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one (PubChem CID 23554892) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one
PubChem CID23554892
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one
SMILESCCN1C(=O)C(NC)c2ccccc2CC1(C)C
InChIInChI=1S/C15H22N2O/c1-5-17-14(18)13(16-4)12-9-7-6-8-11(12)10-15(17,2)3/h6-9,13,16H,5,10H2,1-4H3
InChIKeyOSBYRBRKIYLWCV-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one
CID 23554904
N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84618813
(2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 810579
ethane;4-(methylamino)-1,4-dihydroisothiochromen-3-one
CID 142965501
(1R,2R)-1,2-dichloro-2-methyl-1,3-dihydroindene
CID 146168714
1-butyl-2,2-dimethyl-3H-indole
CID 18788042
(1S)-2,2-diethyl-1,3-dihydroinden-1-amine
CID 139524434
3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one
CID 114993591
1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one
CID 114988724
2-(4-ethyl-4-methylpiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63160859
N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814561
2,2-dipropyl-1,3-dihydroinden-1-amine
CID 156711835

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one?
The IUPAC name of 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one (CID 23554892) is 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one.
What is the SMILES notation for 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one?
The canonical SMILES for 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one is CCN1C(=O)C(NC)c2ccccc2CC1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one?
The InChIKey is OSBYRBRKIYLWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-17-14(18)13(16-4)12-9-7-6-8-11(12)10-15(17,2)3/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one?
3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one has a molecular weight of 246.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethyl-5-(methylamino)-1,5-dihydro-3-benzazepin-4-one is sourced from PubChem (CID 23554892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).