3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one

C13H26N2O — CID 83264699

IUPAC3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCCC(C)CC(C)N1CNC(C(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-6-10(4)7-11(5)15-8-14-12(9(2)3)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyTWKXMQKZEGUBEC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.22
Rot. Bonds5

About 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one

3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83264699) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83264699
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCCC(C)CC(C)N1CNC(C(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-6-10(4)7-11(5)15-8-14-12(9(2)3)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyTWKXMQKZEGUBEC-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-heptan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83252650
3-octan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83247931
5-methyl-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243923
3-hexyl-5-propan-2-ylimidazolidin-4-one
CID 83263616
3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83240107
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263260
3-(2-cyclopropylethyl)-5-propan-2-ylimidazolidin-4-one
CID 83258288
5-propan-2-yl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83259518
3-(4-methylpentyl)-5-propan-2-ylimidazolidin-4-one
CID 83257837
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
5-propan-2-yl-3-(4-propylcyclohexyl)imidazolidin-4-one
CID 83249820

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one (CID 83264699) is 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one is CCC(C)CC(C)N1CNC(C(C)C)C1=O.
What is the InChIKey of 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is TWKXMQKZEGUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-10(4)7-11(5)15-8-14-12(9(2)3)13(15)16/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one?
3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylhexan-2-yl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83264699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).