3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one

C14H26N2O — CID 83256567

IUPAC3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NCN(CC2CCCCC2C)C1=O
InChIInChI=1S/C14H26N2O/c1-3-6-13-14(17)16(10-15-13)9-12-8-5-4-7-11(12)2/h11-13,15H,3-10H2,1-2H3
InChIKeyDJGZMQSHQYFBQL-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.37
Rot. Bonds4

About 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one

3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one (PubChem CID 83256567) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
PubChem CID83256567
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NCN(CC2CCCCC2C)C1=O
InChIInChI=1S/C14H26N2O/c1-3-6-13-14(17)16(10-15-13)9-12-8-5-4-7-11(12)2/h11-13,15H,3-10H2,1-2H3
InChIKeyDJGZMQSHQYFBQL-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylcycloheptyl)-5-propylimidazolidin-4-one
CID 83258446
3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64967153
3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83270521
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83251625
3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
5-butyl-3-(cyclobutylmethyl)imidazolidin-4-one
CID 83244571
3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
CID 107421422
5-butyl-3-(cyclopropylmethyl)imidazolidin-4-one
CID 83251591
3-(2-cyclohexyloxyethyl)-5-propylimidazolidin-4-one
CID 83264767
5-butyl-3-[(3-methylcyclopentyl)methyl]imidazolidin-4-one
CID 107416078
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
The IUPAC name of 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one (CID 83256567) is 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one is CCCC1NCN(CC2CCCCC2C)C1=O.
What is the InChIKey of 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
The InChIKey is DJGZMQSHQYFBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-6-13-14(17)16(10-15-13)9-12-8-5-4-7-11(12)2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one has a molecular weight of 238.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one is sourced from PubChem (CID 83256567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).