1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone

C18H31NO — CID 116585944

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2CCC3CCCCC3N2)C1
InChIInChI=1S/C18H31NO/c1-2-13-6-5-8-15(12-13)18(20)17-11-10-14-7-3-4-9-16(14)19-17/h13-17,19H,2-12H2,1H3
InChIKeyLTFULRIIRRHEFJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.08
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone (PubChem CID 116585944) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone
PubChem CID116585944
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2CCC3CCCCC3N2)C1
InChIInChI=1S/C18H31NO/c1-2-13-6-5-8-15(12-13)18(20)17-11-10-14-7-3-4-9-16(14)19-17/h13-17,19H,2-12H2,1H3
InChIKeyLTFULRIIRRHEFJ-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone with MolForge

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Related Compounds

(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone
CID 116609466
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone
CID 116580693
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-ethylpentan-1-one
CID 116586061
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpiperidin-1-yl)methanone
CID 43584539
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-2-cyclobutylethanone
CID 116549195
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methylpentan-1-one
CID 116585964
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3,4-dimethylcyclohexyl)methanone
CID 116549198
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
1-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]-3,3-dimethylbutan-1-one
CID 157455031

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone (CID 116585944) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)C2CCC3CCCCC3N2)C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone?
The InChIKey is LTFULRIIRRHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-13-6-5-8-15(12-13)18(20)17-11-10-14-7-3-4-9-16(14)19-17/h13-17,19H,2-12H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone has a molecular weight of 277.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 116585944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).