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

C17H26N2 — CID 103981580

IUPACN-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NCCC1CCCC1
InChIInChI=1S/C17H26N2/c1-2-6-14(5-1)9-12-19-17-10-11-18-13-15-7-3-4-8-16(15)17/h3-4,7-8,14,17-19H,1-2,5-6,9-13H2
InChIKeyOFWRVDIHTKYUAO-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds4

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

N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103981580) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103981580
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NCCC1CCCC1
InChIInChI=1S/C17H26N2/c1-2-6-14(5-1)9-12-19-17-10-11-18-13-15-7-3-4-8-16(15)17/h3-4,7-8,14,17-19H,1-2,5-6,9-13H2
InChIKeyOFWRVDIHTKYUAO-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361593
N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982202
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980910
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-but-3-ynyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982195
N-[2-(azepan-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981782
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982163
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361569
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106333859
N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981901
N,N-dimethyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106335665

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103981580) is N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is OFWRVDIHTKYUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-14(5-1)9-12-19-17-10-11-18-13-15-7-3-4-8-16(15)17/h3-4,7-8,14,17-19H,1-2,5-6,9-13H2.
What are the key properties of N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103981580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).