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

C13H19N3O — CID 114336013

IUPAC3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
SMILESNC(=O)CCN1CCCC(N)c2ccccc21
InChIInChI=1S/C13H19N3O/c14-11-5-3-8-16(9-7-13(15)17)12-6-2-1-4-10(11)12/h1-2,4,6,11H,3,5,7-9,14H2,(H2,15,17)
InChIKeyYFZDWURELRLKMQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.16
Rot. Bonds3

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

3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide (PubChem CID 114336013) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
PubChem CID114336013
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
SMILESNC(=O)CCN1CCCC(N)c2ccccc21
InChIInChI=1S/C13H19N3O/c14-11-5-3-8-16(9-7-13(15)17)12-6-2-1-4-10(11)12/h1-2,4,6,11H,3,5,7-9,14H2,(H2,15,17)
InChIKeyYFZDWURELRLKMQ-UHFFFAOYSA-N
XLogP1.16
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
CID 114336159
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64852380
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-cyclopentylpropan-1-one
CID 114335687
1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 114332852
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide?
The IUPAC name of 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide (CID 114336013) is 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide.
What is the SMILES notation for 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide?
The canonical SMILES for 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide is NC(=O)CCN1CCCC(N)c2ccccc21.
What is the InChIKey of 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide?
The InChIKey is YFZDWURELRLKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-11-5-3-8-16(9-7-13(15)17)12-6-2-1-4-10(11)12/h1-2,4,6,11H,3,5,7-9,14H2,(H2,15,17).
What are the key properties of 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide?
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide is sourced from PubChem (CID 114336013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).