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

C10H18N4O2 — CID 23338139

IUPAC3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
SMILESCNC1NC(=O)N(C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H18N4O2/c1-11-8-12-9(15)14(10(16)13-8)7-5-3-2-4-6-7/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,16)
InChIKeyGBKDIEGNLLDLEC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.56
Rot. Bonds2

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

3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione (PubChem CID 23338139) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
PubChem CID23338139
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
SMILESCNC1NC(=O)N(C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H18N4O2/c1-11-8-12-9(15)14(10(16)13-8)7-5-3-2-4-6-7/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,16)
InChIKeyGBKDIEGNLLDLEC-UHFFFAOYSA-N
XLogP0.56
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione (CID 23338139) is 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione is CNC1NC(=O)N(C2CCCCC2)C(=O)N1.
What is the InChIKey of 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
The InChIKey is GBKDIEGNLLDLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-11-8-12-9(15)14(10(16)13-8)7-5-3-2-4-6-7/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione?
3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 23338139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).