1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one

C13H25N3O — CID 58437665

IUPAC1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one
SMILESCN(C)CC1CCC(N2CC(=O)N(C)C2)CC1
InChIInChI=1S/C13H25N3O/c1-14(2)8-11-4-6-12(7-5-11)16-9-13(17)15(3)10-16/h11-12H,4-10H2,1-3H3
InChIKeyAJOWYBSULOLHFG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.84
Rot. Bonds3

About 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one

1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one (PubChem CID 58437665) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one
PubChem CID58437665
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one
SMILESCN(C)CC1CCC(N2CC(=O)N(C)C2)CC1
InChIInChI=1S/C13H25N3O/c1-14(2)8-11-4-6-12(7-5-11)16-9-13(17)15(3)10-16/h11-12H,4-10H2,1-3H3
InChIKeyAJOWYBSULOLHFG-UHFFFAOYSA-N
XLogP0.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 24982857
1-(2-Methylcyclohexyl)imidazolidine-2,4,5-trione
CID 3847077
1-(Cyclohexylmethyl)-3-cyclopentylimidazolidine-2,4,5-trione
CID 16264864
3-[1-(4-Fluorocyclohexyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 137956133
3-(4-Methylcyclohexyl)imidazolidine-2,4-dione
CID 23378337
1-(4-Methylcyclohexyl)imidazolidine-2,4,5-trione
CID 43153904
1-(3-Methylcyclohexyl)imidazolidine-2,4,5-trione
CID 43370616
2,2,4,7-Tetramethyl-4-propan-2-yl-1-aza-4-azoniaspiro[4.5]decan-3-one
CID 53768554
(2S)-1,2,4,9-tetramethyl-6-propan-2-yl-1,4-diazaspiro[4.5]decan-3-one
CID 53771254
(3S)-4-methanidyl-1,3,9-trimethyl-6-propan-2-yl-1,4-diazaspiro[4.5]decan-2-one
CID 53953561
(2R)-1-hydroxy-2,4,7-trimethyl-4-propan-2-yl-1-aza-4-azoniaspiro[4.5]decan-3-one
CID 54229268
(2R)-2,4,7-trimethyl-4-propan-2-yl-1-aza-4-azoniaspiro[4.5]decan-3-one
CID 54508151

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one?
The IUPAC name of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one (CID 58437665) is 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one is CN(C)CC1CCC(N2CC(=O)N(C)C2)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one?
The InChIKey is AJOWYBSULOLHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14(2)8-11-4-6-12(7-5-11)16-9-13(17)15(3)10-16/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one?
1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]cyclohexyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 58437665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).