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

C19H30N2 — CID 103982202

IUPACN-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1CCCC(CCNC2CCNCc3ccccc32)C1
InChIInChI=1S/C19H30N2/c1-15-5-4-6-16(13-15)9-12-21-19-10-11-20-14-17-7-2-3-8-18(17)19/h2-3,7-8,15-16,19-21H,4-6,9-14H2,1H3
InChIKeyBQSYHCOTEBVISZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.03
Rot. Bonds4

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

N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103982202) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103982202
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1CCCC(CCNC2CCNCc3ccccc32)C1
InChIInChI=1S/C19H30N2/c1-15-5-4-6-16(13-15)9-12-21-19-10-11-20-14-17-7-2-3-8-18(17)19/h2-3,7-8,15-16,19-21H,4-6,9-14H2,1H3
InChIKeyBQSYHCOTEBVISZ-UHFFFAOYSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981580
N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361593
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
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-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-[(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
N-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982163

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103982202) is N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CC1CCCC(CCNC2CCNCc3ccccc32)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is BQSYHCOTEBVISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-5-4-6-16(13-15)9-12-21-19-10-11-20-14-17-7-2-3-8-18(17)19/h2-3,7-8,15-16,19-21H,4-6,9-14H2,1H3.
What are the key properties of N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 286.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103982202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).