2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one

C15H30N2O — CID 83252812

IUPAC2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C(C)CCCC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-6-8-14-15(18)17(13(5)16-14)12(4)10-7-9-11(2)3/h11-14,16H,6-10H2,1-5H3
InChIKeyKXUZBBMPELQUNK-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.15
Rot. Bonds7

About 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one

2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one (PubChem CID 83252812) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
PubChem CID83252812
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C(C)CCCC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-6-8-14-15(18)17(13(5)16-14)12(4)10-7-9-11(2)3/h11-14,16H,6-10H2,1-5H3
InChIKeyKXUZBBMPELQUNK-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
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
2-methyl-3-(6-methylheptan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83252163
5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
CID 83252330
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
CID 83264581
3-(1-cyclohexylethyl)-2-methyl-5-propylimidazolidin-4-one
CID 83254999
3-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
CID 83253722
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
2-ethyl-3-(6-methylheptan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one (CID 83252812) is 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one is CCCC1NC(C)N(C(C)CCCC(C)C)C1=O.
What is the InChIKey of 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one?
The InChIKey is KXUZBBMPELQUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-8-14-15(18)17(13(5)16-14)12(4)10-7-9-11(2)3/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one?
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-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 2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83252812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).