(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone

C18H26N2O — CID 114335609

IUPAC(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
SMILESNC1CCCN(C(=O)C2CCCCCC2)c2ccccc21
InChIInChI=1S/C18H26N2O/c19-16-11-7-13-20(17-12-6-5-10-15(16)17)18(21)14-8-3-1-2-4-9-14/h5-6,10,12,14,16H,1-4,7-9,11,13,19H2
InChIKeyCXFFFLOYYPPIDQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.78
Rot. Bonds1

About (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone

(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone (PubChem CID 114335609) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
PubChem CID114335609
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
SMILESNC1CCCN(C(=O)C2CCCCCC2)c2ccccc21
InChIInChI=1S/C18H26N2O/c19-16-11-7-13-20(17-12-6-5-10-15(16)17)18(21)14-8-3-1-2-4-9-14/h5-6,10,12,14,16H,1-4,7-9,11,13,19H2
InChIKeyCXFFFLOYYPPIDQ-UHFFFAOYSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537371
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114824103
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-cyclopentylpropan-1-one
CID 114335687
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone
CID 114335653
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-ethoxyethanone
CID 114335676
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
CID 114337075
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(oxolan-2-yl)ethanone
CID 114335682
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone?
The IUPAC name of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone (CID 114335609) is (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone.
What is the SMILES notation for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone?
The canonical SMILES for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone is NC1CCCN(C(=O)C2CCCCCC2)c2ccccc21.
What is the InChIKey of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone?
The InChIKey is CXFFFLOYYPPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-16-11-7-13-20(17-12-6-5-10-15(16)17)18(21)14-8-3-1-2-4-9-14/h5-6,10,12,14,16H,1-4,7-9,11,13,19H2.
What are the key properties of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone?
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone has a molecular weight of 286.42 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone is sourced from PubChem (CID 114335609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).