5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one

C15H30N2O — CID 83259831

IUPAC5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-5-6-10-14-15(18)17(13(4)16-14)11-8-7-9-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyMZALZPVYNBBCBB-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.15
Rot. Bonds8

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

5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one (PubChem CID 83259831) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
PubChem CID83259831
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-5-6-10-14-15(18)17(13(4)16-14)11-8-7-9-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyMZALZPVYNBBCBB-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-3-[3-(dimethylamino)propyl]-2-methylimidazolidin-4-one
CID 83251042
2-methyl-3-(4-methylpentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83254538
5-ethyl-2-methyl-3-pentylimidazolidin-4-one
CID 83251398
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252
5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257798
5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83250992
3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114926561
5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254350
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
5-butyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249315
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one (CID 83259831) is 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one is CCCCC1NC(C)N(CCCCC(C)C)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one?
The InChIKey is MZALZPVYNBBCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-6-10-14-15(18)17(13(4)16-14)11-8-7-9-12(2)3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one?
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one has a molecular weight of 254.42 g/mol, XLogP of 3.15, 8 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-(5-methylhexyl)imidazolidin-4-one is sourced from PubChem (CID 83259831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).