1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

C14H22N2O3 — CID 112601318

IUPAC1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)CCCC(N2C(=O)NC(=O)C(C)(C)C2=O)C1
InChIInChI=1S/C14H22N2O3/c1-13(2)7-5-6-9(8-13)16-11(18)14(3,4)10(17)15-12(16)19/h9H,5-8H2,1-4H3,(H,15,17,19)
InChIKeyAWLQJVXGXWIUSU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds1

About 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 112601318) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID112601318
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)CCCC(N2C(=O)NC(=O)C(C)(C)C2=O)C1
InChIInChI=1S/C14H22N2O3/c1-13(2)7-5-6-9(8-13)16-11(18)14(3,4)10(17)15-12(16)19/h9H,5-8H2,1-4H3,(H,15,17,19)
InChIKeyAWLQJVXGXWIUSU-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
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-(4,4-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601085
1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598129
1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948827
5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
CID 112600075
9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948526
1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 114120625
3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83270874
3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
CID 83270636
8-(1-methylpiperidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599647
8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599999

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 112601318) is 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is CC1(C)CCCC(N2C(=O)NC(=O)C(C)(C)C2=O)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is AWLQJVXGXWIUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-13(2)7-5-6-9(8-13)16-11(18)14(3,4)10(17)15-12(16)19/h9H,5-8H2,1-4H3,(H,15,17,19).
What are the key properties of 1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 266.34 g/mol, XLogP of 2.06, 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)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112601318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).