1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one

C13H26N2O — CID 166868082

IUPAC1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one
SMILESCCCCCCC(C)(C)N1CCN(C)C1=O
InChIInChI=1S/C13H26N2O/c1-5-6-7-8-9-13(2,3)15-11-10-14(4)12(15)16/h5-11H2,1-4H3
InChIKeyLYGISWFZXMASED-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.10
Rot. Bonds6

About 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one

1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one (PubChem CID 166868082) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one
PubChem CID166868082
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one
SMILESCCCCCCC(C)(C)N1CCN(C)C1=O
InChIInChI=1S/C13H26N2O/c1-5-6-7-8-9-13(2,3)15-11-10-14(4)12(15)16/h5-11H2,1-4H3
InChIKeyLYGISWFZXMASED-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dioctylimidazolidin-2-one
CID 19987667
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CID 131992233
1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one
CID 130272243
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710
1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one
CID 134225694
1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one
CID 155158511
1,3-dibutylimidazolidin-2-one
CID 20887
1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161035716
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
CID 79361214

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one (CID 166868082) is 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one is CCCCCCC(C)(C)N1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one?
The InChIKey is LYGISWFZXMASED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-7-8-9-13(2,3)15-11-10-14(4)12(15)16/h5-11H2,1-4H3.
What are the key properties of 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one?
1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 166868082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).