2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine

C17H22N2 — CID 81216527

IUPAC2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2cccc3ncccc23)C1
InChIInChI=1S/C17H22N2/c1-12-8-9-13(2)17(18,11-12)15-6-3-7-16-14(15)5-4-10-19-16/h3-7,10,12-13H,8-9,11,18H2,1-2H3
InChIKeyDVCPHHCUKZTFNP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.84
Rot. Bonds1

About 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine

2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine (PubChem CID 81216527) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
PubChem CID81216527
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2cccc3ncccc23)C1
InChIInChI=1S/C17H22N2/c1-12-8-9-13(2)17(18,11-12)15-6-3-7-16-14(15)5-4-10-19-16/h3-7,10,12-13H,8-9,11,18H2,1-2H3
InChIKeyDVCPHHCUKZTFNP-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216239
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990
5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline
CID 112564674
3-ethyl-1-quinolin-5-ylcyclopentan-1-ol
CID 81216281
1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64774371
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004
5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline
CID 129390404
4-methyl-2-quinolin-5-yloxycyclohexan-1-amine
CID 103044546
5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine
CID 81230699
N-(3,3-dimethylcyclopentyl)quinolin-5-amine
CID 80693374
5-(2-methylpyrrolidin-2-yl)quinoline
CID 81231992

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine (CID 81216527) is 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine is CC1CCC(C)C(N)(c2cccc3ncccc23)C1.
What is the InChIKey of 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
The InChIKey is DVCPHHCUKZTFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-8-9-13(2)17(18,11-12)15-6-3-7-16-14(15)5-4-10-19-16/h3-7,10,12-13H,8-9,11,18H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine?
2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine is sourced from PubChem (CID 81216527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).