5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one

C15H30N2O — CID 83264581

IUPAC5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)CC(C)CC)C1=O
InChIInChI=1S/C15H30N2O/c1-6-8-9-14-15(18)17(13(5)16-14)12(4)10-11(3)7-2/h11-14,16H,6-10H2,1-5H3
InChIKeyFYNLVRGNDRDBOG-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.15
Rot. Bonds7

About 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one

5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one (PubChem CID 83264581) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
PubChem CID83264581
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)CC(C)CC)C1=O
InChIInChI=1S/C15H30N2O/c1-6-8-9-14-15(18)17(13(5)16-14)12(4)10-11(3)7-2/h11-14,16H,6-10H2,1-5H3
InChIKeyFYNLVRGNDRDBOG-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246045
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812
5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
CID 83264217
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83264410
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257798
5-butyl-3-(2-methylpentan-3-yl)-2-propylimidazolidin-4-one
CID 83245310
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one (CID 83264581) is 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one is CCCCC1NC(C)N(C(C)CC(C)CC)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one?
The InChIKey is FYNLVRGNDRDBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-8-9-14-15(18)17(13(5)16-14)12(4)10-11(3)7-2/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one?
5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one has a molecular weight of 254.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83264581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).