1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one

C15H22N2O — CID 43329359

IUPAC1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(CCN)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-13(10-11-16)17-14-8-4-3-6-12(14)7-5-9-15(17)18/h3-4,6,8,13H,2,5,7,9-11,16H2,1H3
InChIKeyGEWOAOLZYGFYQR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.48
Rot. Bonds4

About 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one

1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 43329359) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID43329359
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(CCN)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-13(10-11-16)17-14-8-4-3-6-12(14)7-5-9-15(17)18/h3-4,6,8,13H,2,5,7,9-11,16H2,1H3
InChIKeyGEWOAOLZYGFYQR-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758044
1-[1-(azepan-1-yl)-1-oxobutan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276095
(2S)-N-benzyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742614
3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
CID 62205355
N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758151
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
N-[(2-chlorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758024
1-(5-methyl-5-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylhexan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 169212749
1-[2-(methylamino)butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 62041220
(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92886750

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 43329359) is 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one is CCC(CCN)N1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is GEWOAOLZYGFYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-13(10-11-16)17-14-8-4-3-6-12(14)7-5-9-15(17)18/h3-4,6,8,13H,2,5,7,9-11,16H2,1H3.
What are the key properties of 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 43329359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).