1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one

C15H28N2O — CID 164775383

IUPAC1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(C2CCC(CC(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-12-5-7-13(8-6-12)17-10-9-16(4)14(17)18/h12-13H,5-11H2,1-4H3
InChIKeyJKPAYBZAVNIMTN-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.35
Rot. Bonds2

About 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one

1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one (PubChem CID 164775383) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one
PubChem CID164775383
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(C2CCC(CC(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-12-5-7-13(8-6-12)17-10-9-16(4)14(17)18/h12-13H,5-11H2,1-4H3
InChIKeyJKPAYBZAVNIMTN-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one (CID 164775383) is 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one is CN1CCN(C2CCC(CC(C)(C)C)CC2)C1=O.
What is the InChIKey of 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one?
The InChIKey is JKPAYBZAVNIMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)11-12-5-7-13(8-6-12)17-10-9-16(4)14(17)18/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one?
1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropyl)cyclohexyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 164775383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).