3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one

C14H26N2O — CID 83270636

IUPAC3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
SMILESCCC1NC(C)N(C2CCCC(C)(C)C2)C1=O
InChIInChI=1S/C14H26N2O/c1-5-12-13(17)16(10(2)15-12)11-7-6-8-14(3,4)9-11/h10-12,15H,5-9H2,1-4H3
InChIKeyHUXMISWGDYWWOE-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.51
Rot. Bonds2

About 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one

3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one (PubChem CID 83270636) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
PubChem CID83270636
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
SMILESCCC1NC(C)N(C2CCCC(C)(C)C2)C1=O
InChIInChI=1S/C14H26N2O/c1-5-12-13(17)16(10(2)15-12)11-7-6-8-14(3,4)9-11/h10-12,15H,5-9H2,1-4H3
InChIKeyHUXMISWGDYWWOE-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948827
3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83260537
2-cyclopentyl-3-cyclopropyl-5-ethylimidazolidin-4-one
CID 83242198
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83269868
5-butan-2-yl-3-(3,3-dimethylcyclopentyl)-2-ethylimidazolidin-4-one
CID 114552428
2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83262954
1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601318
2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one
CID 83263928
1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598129
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylimidazolidin-4-one
CID 107165646

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one (CID 83270636) is 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one is CCC1NC(C)N(C2CCCC(C)(C)C2)C1=O.
What is the InChIKey of 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one?
The InChIKey is HUXMISWGDYWWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-12-13(17)16(10(2)15-12)11-7-6-8-14(3,4)9-11/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one?
3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one has a molecular weight of 238.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one is sourced from PubChem (CID 83270636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).