3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H22N2O — CID 103313077

IUPAC3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC(C)CCNC1CCc2ccccc2NC1=O
InChIInChI=1S/C15H22N2O/c1-11(2)9-10-16-14-8-7-12-5-3-4-6-13(12)17-15(14)18/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyLVEVNYPDAGVAMP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.58
Rot. Bonds4

About 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313077) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313077
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC(C)CCNC1CCc2ccccc2NC1=O
InChIInChI=1S/C15H22N2O/c1-11(2)9-10-16-14-8-7-12-5-3-4-6-13(12)17-15(14)18/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyLVEVNYPDAGVAMP-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-methylpropoxy)ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313556
3-(2-methylpropoxyamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313456
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313304
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313115
3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107317427
3-(2-butoxyethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313208
3-(2-methylprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313566
3-(hex-5-ynylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106211618
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313241
3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313099
(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 10493022

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313077) is 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is CC(C)CCNC1CCc2ccccc2NC1=O.
What is the InChIKey of 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is LVEVNYPDAGVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)9-10-16-14-8-7-12-5-3-4-6-13(12)17-15(14)18/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).