1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione

C12H18N2O3 — CID 112598012

IUPAC1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCC1CCC(N2C(=O)CC(=O)NC2=O)C(C)C1
InChIInChI=1S/C12H18N2O3/c1-7-3-4-9(8(2)5-7)14-11(16)6-10(15)13-12(14)17/h7-9H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyAIVQRXWYIWJBAH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.28
Rot. Bonds1

About 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione

1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 112598012) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
PubChem CID112598012
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCC1CCC(N2C(=O)CC(=O)NC2=O)C(C)C1
InChIInChI=1S/C12H18N2O3/c1-7-3-4-9(8(2)5-7)14-11(16)6-10(15)13-12(14)17/h7-9H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyAIVQRXWYIWJBAH-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948158
2-cyclopentyl-3-(2,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
CID 83263585
1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione
CID 64971832
1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione
CID 112598094
1-[2-(4-methylcyclohexyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 112598051
1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598129
6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264077
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1,3-diazinane-2,4,6-trione
CID 112598149
1-(2,4-dimethylcyclohexyl)-2-methylpiperidin-4-one
CID 63996295
3-(2,4-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83263584
1-(1,1-dioxothian-3-yl)-1,3-diazinane-2,4,6-trione
CID 112598032
1-(2,4-dimethylcyclohexyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64971821

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione (CID 112598012) is 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione is CC1CCC(N2C(=O)CC(=O)NC2=O)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is AIVQRXWYIWJBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-3-4-9(8(2)5-7)14-11(16)6-10(15)13-12(14)17/h7-9H,3-6H2,1-2H3,(H,13,15,17).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 238.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).