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

C14H20N2O — CID 103982525

IUPACN-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NC1CCOC1
InChIInChI=1S/C14H20N2O/c1-2-4-13-11(3-1)9-15-7-5-14(13)16-12-6-8-17-10-12/h1-4,12,14-16H,5-10H2
InChIKeyFARGKVKXWGUQGN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.60
Rot. Bonds2

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

N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103982525) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103982525
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NC1CCOC1
InChIInChI=1S/C14H20N2O/c1-2-4-13-11(3-1)9-15-7-5-14(13)16-12-6-8-17-10-12/h1-4,12,14-16H,5-10H2
InChIKeyFARGKVKXWGUQGN-UHFFFAOYSA-N
XLogP1.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982134
N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxolan-3-amine
CID 63331677
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
CID 103982387
N-(2,3-dihydro-1H-inden-1-yl)oxan-3-amine
CID 63359821
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361558
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
CID 103982382
N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980528
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)azepan-2-one
CID 103981131
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine
CID 115714285
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103982525) is N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2NC1CCOC1.
What is the InChIKey of N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is FARGKVKXWGUQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-13-11(3-1)9-15-7-5-14(13)16-12-6-8-17-10-12/h1-4,12,14-16H,5-10H2.
What are the key properties of N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 232.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103982525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).