2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone

C18H22N2O — CID 116578986

IUPAC2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
SMILESCc1ccc2cc(C(=O)CC3(N)CCCCC3)ccc2n1
InChIInChI=1S/C18H22N2O/c1-13-5-6-14-11-15(7-8-16(14)20-13)17(21)12-18(19)9-3-2-4-10-18/h5-8,11H,2-4,9-10,12,19H2,1H3
InChIKeyYRTTZXQOEXPVDY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.78
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone

2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone (PubChem CID 116578986) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
PubChem CID116578986
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
SMILESCc1ccc2cc(C(=O)CC3(N)CCCCC3)ccc2n1
InChIInChI=1S/C18H22N2O/c1-13-5-6-14-11-15(7-8-16(14)20-13)17(21)12-18(19)9-3-2-4-10-18/h5-8,11H,2-4,9-10,12,19H2,1H3
InChIKeyYRTTZXQOEXPVDY-UHFFFAOYSA-N
XLogP3.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
CID 116549997
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
CID 116578896
2-(1-aminocyclohexyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 116579044
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
2-(1-aminocyclopentyl)-1-(4-ethylphenyl)ethanone
CID 116578853
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone
CID 103457814

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone (CID 116578986) is 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone is Cc1ccc2cc(C(=O)CC3(N)CCCCC3)ccc2n1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone?
The InChIKey is YRTTZXQOEXPVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-5-6-14-11-15(7-8-16(14)20-13)17(21)12-18(19)9-3-2-4-10-18/h5-8,11H,2-4,9-10,12,19H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone?
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone has a molecular weight of 282.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone is sourced from PubChem (CID 116578986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).