5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one

C14H28N2O — CID 83260814

IUPAC5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one
SMILESCCC1(C)NC(C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-6-14(5)13(17)16(12(4)15-14)10-8-7-9-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyHMNVGHXEJCUZBY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.76
Rot. Bonds6

About 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one

5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one (PubChem CID 83260814) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one
PubChem CID83260814
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one
SMILESCCC1(C)NC(C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-6-14(5)13(17)16(12(4)15-14)10-8-7-9-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyHMNVGHXEJCUZBY-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.76
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

5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83260603
5-ethyl-2,5-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl]imidazolidin-4-one
CID 114140888
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83168869
3-(2,2-difluoroethyl)-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83260245
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83264810
5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327150
2,5-diethyl-5-methyl-3-octylimidazolidin-4-one
CID 83260188
5-ethyl-2,5-dimethyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254520
5-ethyl-5-methyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243083
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one (CID 83260814) is 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one is CCC1(C)NC(C)N(CCCCC(C)C)C1=O.
What is the InChIKey of 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one?
The InChIKey is HMNVGHXEJCUZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-14(5)13(17)16(12(4)15-14)10-8-7-9-11(2)3/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one?
5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one is sourced from PubChem (CID 83260814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).