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

C11H20N4O2 — CID 78411041

IUPAC3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
SMILESCNC1NC(=O)N(C2CCCCC2)C(=O)N1C
InChIInChI=1S/C11H20N4O2/c1-12-9-13-10(16)15(11(17)14(9)2)8-6-4-3-5-7-8/h8-9,12H,3-7H2,1-2H3,(H,13,16)
InChIKeyKVLPKSGOZVONCE-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.90
Rot. Bonds2

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

3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione (PubChem CID 78411041) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
PubChem CID78411041
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
SMILESCNC1NC(=O)N(C2CCCCC2)C(=O)N1C
InChIInChI=1S/C11H20N4O2/c1-12-9-13-10(16)15(11(17)14(9)2)8-6-4-3-5-7-8/h8-9,12H,3-7H2,1-2H3,(H,13,16)
InChIKeyKVLPKSGOZVONCE-UHFFFAOYSA-N
XLogP0.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione (CID 78411041) is 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione is CNC1NC(=O)N(C2CCCCC2)C(=O)N1C.
What is the InChIKey of 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
The InChIKey is KVLPKSGOZVONCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-12-9-13-10(16)15(11(17)14(9)2)8-6-4-3-5-7-8/h8-9,12H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-6-(methylamino)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 78411041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).