3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one

C14H26N2O — CID 83258907

IUPAC3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one
SMILESCCCC1NCN(C2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C14H26N2O/c1-4-5-13-14(17)16(9-15-13)12-7-10(2)6-11(3)8-12/h10-13,15H,4-9H2,1-3H3
InChIKeyVEVBOXXCUCGIJG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.37
Rot. Bonds3

About 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one

3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one (PubChem CID 83258907) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one
PubChem CID83258907
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one
SMILESCCCC1NCN(C2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C14H26N2O/c1-4-5-13-14(17)16(9-15-13)12-7-10(2)6-11(3)8-12/h10-13,15H,4-9H2,1-3H3
InChIKeyVEVBOXXCUCGIJG-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.37
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-propylimidazolidin-4-one?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one (CID 83258907) is 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one is CCCC1NCN(C2CC(C)CC(C)C2)C1=O.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one?
The InChIKey is VEVBOXXCUCGIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-13-14(17)16(9-15-13)12-7-10(2)6-11(3)8-12/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one?
3-(3,5-dimethylcyclohexyl)-5-propylimidazolidin-4-one has a molecular weight of 238.37 g/mol, XLogP of 2.37, 3 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-propylimidazolidin-4-one is sourced from PubChem (CID 83258907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).