1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one

C16H30N2O — CID 167076515

IUPAC1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one
SMILESCCC(C(C)C)C1CCCC(N2CCN(C)C2=O)C1
InChIInChI=1S/C16H30N2O/c1-5-15(12(2)3)13-7-6-8-14(11-13)18-10-9-17(4)16(18)19/h12-15H,5-11H2,1-4H3
InChIKeyJFTBKBQCJKADAH-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.59
Rot. Bonds4

About 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one

1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one (PubChem CID 167076515) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one
PubChem CID167076515
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one
SMILESCCC(C(C)C)C1CCCC(N2CCN(C)C2=O)C1
InChIInChI=1S/C16H30N2O/c1-5-15(12(2)3)13-7-6-8-14(11-13)18-10-9-17(4)16(18)19/h12-15H,5-11H2,1-4H3
InChIKeyJFTBKBQCJKADAH-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one
CID 134967362
3-(2-Cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one
CID 21025481
1,3-Bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one
CID 21263550
1-Tert-butyl-3-(4-tert-butylcyclohexyl)imidazolidin-2-one
CID 59476386
N,N-dimethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 59598958
2-Cyclohexyl-2,5-dimethylpyrrolidine-1-carboxamide
CID 69349390
1-(4-Tert-butylcyclohexyl)-3-ethylimidazolidin-2-one
CID 70849900
1-Ethyl-3-(4-ethylcyclohexyl)imidazolidin-2-one
CID 70849957
(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one
CID 70861269
3-(2-Cyclohexylethyl)-1,4,4-trimethylimidazolidin-2-one
CID 71093971
4-Cyclohexyl-1,3-dimethylimidazolidin-2-one
CID 82646916
4-Cyclohexyl-1-ethylimidazolidin-2-one
CID 89080819

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one (CID 167076515) is 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one is CCC(C(C)C)C1CCCC(N2CCN(C)C2=O)C1.
What is the InChIKey of 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one?
The InChIKey is JFTBKBQCJKADAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-15(12(2)3)13-7-6-8-14(11-13)18-10-9-17(4)16(18)19/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one?
1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-methylpentan-3-yl)cyclohexyl]imidazolidin-2-one is sourced from PubChem (CID 167076515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).