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

C17H26N2 — CID 103980528

IUPACN-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1CCCCC1NC1CCNCc2ccccc21
InChIInChI=1S/C17H26N2/c1-13-6-2-5-9-16(13)19-17-10-11-18-12-14-7-3-4-8-15(14)17/h3-4,7-8,13,16-19H,2,5-6,9-12H2,1H3
InChIKeyOJGRLTCGESBLFV-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds2

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

N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980528) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980528
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1CCCCC1NC1CCNCc2ccccc21
InChIInChI=1S/C17H26N2/c1-13-6-2-5-9-16(13)19-17-10-11-18-12-14-7-3-4-8-15(14)17/h3-4,7-8,13,16-19H,2,5-6,9-12H2,1H3
InChIKeyOJGRLTCGESBLFV-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
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-(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)azepan-2-one
CID 103981131
4-methyl-N-(2-methylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418459
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980910
N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982134
N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63994491
N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981580
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980528) is N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CC1CCCCC1NC1CCNCc2ccccc21.
What is the InChIKey of N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is OJGRLTCGESBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-6-2-5-9-16(13)19-17-10-11-18-12-14-7-3-4-8-15(14)17/h3-4,7-8,13,16-19H,2,5-6,9-12H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).