3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione

C12H22N4O2 — CID 14647202

IUPAC3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione
SMILESCN(C)C1NC(=O)N(C2CCCCC2)C(=O)N1C
InChIInChI=1S/C12H22N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,13,17)
InChIKeyGXRVQLOHFDTOAF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.24
Rot. Bonds2

About 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione

3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione (PubChem CID 14647202) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione
PubChem CID14647202
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione
SMILESCN(C)C1NC(=O)N(C2CCCCC2)C(=O)N1C
InChIInChI=1S/C12H22N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,13,17)
InChIKeyGXRVQLOHFDTOAF-UHFFFAOYSA-N
XLogP1.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione (CID 14647202) is 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione is CN(C)C1NC(=O)N(C2CCCCC2)C(=O)N1C.
What is the InChIKey of 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione?
The InChIKey is GXRVQLOHFDTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione?
3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 14647202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).