5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one

C16H30N2O — CID 83263151

IUPAC5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C2CCC(C)C(C)C2)C1=O
InChIInChI=1S/C16H30N2O/c1-6-10(2)15-16(19)18(13(5)17-15)14-8-7-11(3)12(4)9-14/h10-15,17H,6-9H2,1-5H3
InChIKeyVEFAHMATAPCXAN-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.00
Rot. Bonds3

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

5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one (PubChem CID 83263151) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
PubChem CID83263151
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C2CCC(C)C(C)C2)C1=O
InChIInChI=1S/C16H30N2O/c1-6-10(2)15-16(19)18(13(5)17-15)14-8-7-11(3)12(4)9-14/h10-15,17H,6-9H2,1-5H3
InChIKeyVEFAHMATAPCXAN-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
5-butan-2-yl-3-(3-methylcyclopentyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 114552346
5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
3-(3,4-dimethylcyclohexyl)-2,5-diethylimidazolidin-4-one
CID 83263458
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
CID 83244291
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
CID 83245017
3-cyclobutyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83254569
3-(3,4-dimethylcyclohexyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83263293
5-butan-2-yl-3-cyclobutyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83254319
2-methyl-3-(2-methylcyclopropyl)-5-propan-2-ylimidazolidin-4-one
CID 83255411
5-butan-2-yl-2-(4-chlorophenyl)-3-cyclopropylimidazolidin-4-one
CID 83242460
5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
CID 83252330

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one (CID 83263151) is 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one is CCC(C)C1NC(C)N(C2CCC(C)C(C)C2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one?
The InChIKey is VEFAHMATAPCXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-10(2)15-16(19)18(13(5)17-15)14-8-7-11(3)12(4)9-14/h10-15,17H,6-9H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one?
5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one has a molecular weight of 266.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83263151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).