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

C15H28N2O — CID 83258740

IUPAC3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one
SMILESCCC1(C)NC(C)N(C2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C15H28N2O/c1-6-15(5)14(18)17(12(4)16-15)13-8-10(2)7-11(3)9-13/h10-13,16H,6-9H2,1-5H3
InChIKeyFSHORVWWDZMHCY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.76
Rot. Bonds2

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

3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one (PubChem CID 83258740) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one
PubChem CID83258740
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one
SMILESCCC1(C)NC(C)N(C2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C15H28N2O/c1-6-15(5)14(18)17(12(4)16-15)13-8-10(2)7-11(3)9-13/h10-13,16H,6-9H2,1-5H3
InChIKeyFSHORVWWDZMHCY-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one (CID 83258740) is 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one is CCC1(C)NC(C)N(C2CC(C)CC(C)C2)C1=O.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one?
The InChIKey is FSHORVWWDZMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-15(5)14(18)17(12(4)16-15)13-8-10(2)7-11(3)9-13/h10-13,16H,6-9H2,1-5H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one?
3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one has a molecular weight of 252.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)-5-ethyl-2,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 83258740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).