N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C15H22N2O — CID 103982134

IUPACN-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NC1CCCOC1
InChIInChI=1S/C15H22N2O/c1-2-6-14-12(4-1)10-16-8-7-15(14)17-13-5-3-9-18-11-13/h1-2,4,6,13,15-17H,3,5,7-11H2
InChIKeyANVHXSLLBKRQAW-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.99
Rot. Bonds2

About N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103982134) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103982134
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NC1CCCOC1
InChIInChI=1S/C15H22N2O/c1-2-6-14-12(4-1)10-16-8-7-15(14)17-13-5-3-9-18-11-13/h1-2,4,6,13,15-17H,3,5,7-11H2
InChIKeyANVHXSLLBKRQAW-UHFFFAOYSA-N
XLogP1.99
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
N-(2,3-dihydro-1H-inden-1-yl)oxan-3-amine
CID 63359821
N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
CID 103982387
N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxolan-3-amine
CID 63331677
N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980528
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361558
N-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
CID 103982382
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)azepan-2-one
CID 103981131
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980910

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103982134) is N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2NC1CCCOC1.
What is the InChIKey of N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is ANVHXSLLBKRQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-14-12(4-1)10-16-8-7-15(14)17-13-5-3-9-18-11-13/h1-2,4,6,13,15-17H,3,5,7-11H2.
What are the key properties of N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 246.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103982134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).