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

C15H28N2O — CID 114129936

IUPAC2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CC2CCCC(C)C2)C1=O
InChIInChI=1S/C15H28N2O/c1-4-6-14-15(18)17(12(3)16-14)10-13-8-5-7-11(2)9-13/h11-14,16H,4-10H2,1-3H3
InChIKeyDSSRPVWHEMWDRH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.76
Rot. Bonds4

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

2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one (PubChem CID 114129936) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
PubChem CID114129936
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CC2CCCC(C)C2)C1=O
InChIInChI=1S/C15H28N2O/c1-4-6-14-15(18)17(12(3)16-14)10-13-8-5-7-11(2)9-13/h11-14,16H,4-10H2,1-3H3
InChIKeyDSSRPVWHEMWDRH-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83250992
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
2-methyl-3-[2-(3-methylcyclohexyl)ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83264269
3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
5-butyl-2-methyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254553
3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one
CID 114112490
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
5-ethyl-2-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257443
1-(cyclopentylmethyl)-3,6-dipropylpiperazine-2,5-dione
CID 64874943
3-[[1-(dimethylamino)cyclopentyl]methyl]-2-methyl-5-propylimidazolidin-4-one
CID 83260767
3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
CID 107421422
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
The IUPAC name of 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one (CID 114129936) is 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one is CCCC1NC(C)N(CC2CCCC(C)C2)C1=O.
What is the InChIKey of 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
The InChIKey is DSSRPVWHEMWDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-6-14-15(18)17(12(3)16-14)10-13-8-5-7-11(2)9-13/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one?
2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one has a molecular weight of 252.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one is sourced from PubChem (CID 114129936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).