1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione

C13H22N2O2 — CID 79777504

IUPAC1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CC(C)CC(N2CC(C)C(=O)NC2=O)C1
InChIInChI=1S/C13H22N2O2/c1-8-4-9(2)6-11(5-8)15-7-10(3)12(16)14-13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyBUKAYSJGGUQMIC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds1

About 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione

1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79777504) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79777504
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CC(C)CC(N2CC(C)C(=O)NC2=O)C1
InChIInChI=1S/C13H22N2O2/c1-8-4-9(2)6-11(5-8)15-7-10(3)12(16)14-13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyBUKAYSJGGUQMIC-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione (CID 79777504) is 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione is CC1CC(C)CC(N2CC(C)C(=O)NC2=O)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is BUKAYSJGGUQMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-4-9(2)6-11(5-8)15-7-10(3)12(16)14-13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16,17).
What are the key properties of 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione?
1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).