3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one

C16H32N2O — CID 83270786

IUPAC3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCCCCC(C)(C)CN1CNC(CC(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-6-7-8-9-16(4,5)11-18-12-17-14(15(18)19)10-13(2)3/h13-14,17H,6-12H2,1-5H3
InChIKeyGXTLBUUPXRAIID-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.40
Rot. Bonds8

About 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one

3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83270786) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83270786
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCCCCC(C)(C)CN1CNC(CC(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-6-7-8-9-16(4,5)11-18-12-17-14(15(18)19)10-13(2)3/h13-14,17H,6-12H2,1-5H3
InChIKeyGXTLBUUPXRAIID-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 114125253
3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
CID 83254098
3-[2-(dimethylamino)-2-methylpropyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83253023
3-(2-methoxy-2-methylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104767754
5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
CID 83246616
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83258955
3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257472
5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257953
3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104830706
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253267
5-butyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83257839

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one (CID 83270786) is 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one is CCCCCC(C)(C)CN1CNC(CC(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is GXTLBUUPXRAIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-7-8-9-16(4,5)11-18-12-17-14(15(18)19)10-13(2)3/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one?
3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83270786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).