1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone

C17H31NO — CID 104750169

IUPAC1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone
SMILESCCC1CCC(N(C)CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-3-14-9-11-16(12-10-14)18(2)13-17(19)15-7-5-4-6-8-15/h14-16H,3-13H2,1-2H3
InChIKeyJOMICBMCGLTNFT-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds5

About 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone

1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone (PubChem CID 104750169) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone
PubChem CID104750169
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone
SMILESCCC1CCC(N(C)CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-3-14-9-11-16(12-10-14)18(2)13-17(19)15-7-5-4-6-8-15/h14-16H,3-13H2,1-2H3
InChIKeyJOMICBMCGLTNFT-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 104750812
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
CID 104749946
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
2-cyclohexylsulfanyl-1-(4-ethylcyclohexyl)ethanone
CID 65139373
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone (CID 104750169) is 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone is CCC1CCC(N(C)CC(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The InChIKey is JOMICBMCGLTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-14-9-11-16(12-10-14)18(2)13-17(19)15-7-5-4-6-8-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone has a molecular weight of 265.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone is sourced from PubChem (CID 104750169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).