3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one

C14H28N2O — CID 83238566

IUPAC3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CCC(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-6-7-12-14(17)16(9-8-10(2)3)13(15-12)11(4)5/h10-13,15H,6-9H2,1-5H3
InChIKeySYHQJACTAROHNB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.62
Rot. Bonds6

About 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one

3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83238566) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
PubChem CID83238566
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CCC(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-6-7-12-14(17)16(9-8-10(2)3)13(15-12)11(4)5/h10-13,15H,6-9H2,1-5H3
InChIKeySYHQJACTAROHNB-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
3-methyl-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83260226
3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 102915982
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 106053040
3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83248207
5-butyl-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767679
3-(2-cyclopropylethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83258772
3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83252942
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
5-ethyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83242217
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one (CID 83238566) is 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(C(C)C)N(CCC(C)C)C1=O.
What is the InChIKey of 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is SYHQJACTAROHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-7-12-14(17)16(9-8-10(2)3)13(15-12)11(4)5/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83238566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).