3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one

C14H28N2O — CID 83254098

IUPAC3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCCCCC(C)N1CNC(CC(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-5-6-7-8-12(4)16-10-15-13(14(16)17)9-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyXYYBESWUDICLQM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.76
Rot. Bonds7

About 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one

3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83254098) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83254098
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCCCCC(C)N1CNC(CC(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-5-6-7-8-12(4)16-10-15-13(14(16)17)9-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyXYYBESWUDICLQM-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
CID 83246616
3-heptan-2-yl-5-propylimidazolidin-4-one
CID 83253979
3-heptan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83252650
3-octan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83247931
3-(1-cyclopropylpropan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257317
5-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242760
3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83270786
5-benzyl-3-hexan-2-ylimidazolidin-4-one
CID 83254120
3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104830706
3-[4-(dimethylamino)butan-2-yl]-5-ethylimidazolidin-4-one
CID 83248683
3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258633
3-(1-cyclopropylpropan-2-yl)-5-propylimidazolidin-4-one
CID 83257228

Frequently Asked Questions

What is the IUPAC name of 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one (CID 83254098) is 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one is CCCCCC(C)N1CNC(CC(C)C)C1=O.
What is the InChIKey of 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is XYYBESWUDICLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-6-7-8-12(4)16-10-15-13(14(16)17)9-11(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one?
3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83254098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).