3-hexyl-5-propan-2-ylimidazolidin-4-one

C12H24N2O — CID 83263616

IUPAC3-hexyl-5-propan-2-ylimidazolidin-4-one
SMILESCCCCCCN1CNC(C(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-14-9-13-11(10(2)3)12(14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyJKKHYTKFZFBTDZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.98
Rot. Bonds6

About 3-hexyl-5-propan-2-ylimidazolidin-4-one

3-hexyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83263616) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-hexyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-hexyl-5-propan-2-ylimidazolidin-4-one
PubChem CID83263616
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-hexyl-5-propan-2-ylimidazolidin-4-one
SMILESCCCCCCN1CNC(C(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-14-9-13-11(10(2)3)12(14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyJKKHYTKFZFBTDZ-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.98
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

3-(4-methylpentyl)-5-propan-2-ylimidazolidin-4-one
CID 83257837
3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83240107
5-butyl-3-decylimidazolidin-4-one
CID 83270318
3-(2-cyclopropylethyl)-5-propan-2-ylimidazolidin-4-one
CID 83258288
3-octan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83247931
3-[2-(2-methoxyethoxy)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83245268
3-heptan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83252650
3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83263545
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
5-propan-2-yl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83259518
5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83248371
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-hexyl-5-propan-2-ylimidazolidin-4-one (CID 83263616) is 3-hexyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-hexyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-hexyl-5-propan-2-ylimidazolidin-4-one is CCCCCCN1CNC(C(C)C)C1=O.
What is the InChIKey of 3-hexyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is JKKHYTKFZFBTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-7-8-14-9-13-11(10(2)3)12(14)15/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-hexyl-5-propan-2-ylimidazolidin-4-one?
3-hexyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 212.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83263616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).