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

C12H18N2O3 — CID 112598129

IUPAC1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCC1(C)CCCC(N2C(=O)CC(=O)NC2=O)C1
InChIInChI=1S/C12H18N2O3/c1-12(2)5-3-4-8(7-12)14-10(16)6-9(15)13-11(14)17/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyZBIHJQWQJSCCOM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.42
Rot. Bonds1

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

1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 112598129) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
PubChem CID112598129
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCC1(C)CCCC(N2C(=O)CC(=O)NC2=O)C1
InChIInChI=1S/C12H18N2O3/c1-12(2)5-3-4-8(7-12)14-10(16)6-9(15)13-11(14)17/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyZBIHJQWQJSCCOM-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
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-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601318
1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948827
1-(1,1-dioxothian-3-yl)-1,3-diazinane-2,4,6-trione
CID 112598032
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1,3-diazinane-2,4,6-trione
CID 112598149
3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83270874
1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598012
3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
CID 83270636
1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione
CID 112598094
1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971560
1-(3,3-dimethylcyclohexyl)azetidin-3-amine
CID 65244920
3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
CID 112598007

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione (CID 112598129) is 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione is CC1(C)CCCC(N2C(=O)CC(=O)NC2=O)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ZBIHJQWQJSCCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2)5-3-4-8(7-12)14-10(16)6-9(15)13-11(14)17/h8H,3-7H2,1-2H3,(H,13,15,17).
What are the key properties of 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 238.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).