cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium

C13H23N4O2+ — CID 18420112

IUPACcyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium
SMILESCOc1nc(OC)nc([N+](C)(C)C2CCCCC2)n1
InChIInChI=1S/C13H23N4O2/c1-17(2,10-8-6-5-7-9-10)11-14-12(18-3)16-13(15-11)19-4/h10H,5-9H2,1-4H3/q+1
InChIKeyJXONDGRDJPEFID-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.79
Rot. Bonds4

About cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium

cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium (PubChem CID 18420112) has the molecular formula C13H23N4O2+ and a molecular weight of 267.35 g/mol. Its IUPAC name is cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium.

Molecular Properties

Compound Namecyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium
PubChem CID18420112
Molecular FormulaC13H23N4O2+
Molecular Weight267.35 g/mol
Exact Mass267.18
IUPAC Namecyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium
SMILESCOc1nc(OC)nc([N+](C)(C)C2CCCCC2)n1
InChIInChI=1S/C13H23N4O2/c1-17(2,10-8-6-5-7-9-10)11-14-12(18-3)16-13(15-11)19-4/h10H,5-9H2,1-4H3/q+1
InChIKeyJXONDGRDJPEFID-UHFFFAOYSA-N
XLogP1.79
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium?
The IUPAC name of cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium (CID 18420112) is cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium.
What is the SMILES notation for cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium?
The canonical SMILES for cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium is COc1nc(OC)nc([N+](C)(C)C2CCCCC2)n1.
What is the InChIKey of cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium?
The InChIKey is JXONDGRDJPEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N4O2/c1-17(2,10-8-6-5-7-9-10)11-14-12(18-3)16-13(15-11)19-4/h10H,5-9H2,1-4H3/q+1.
What are the key properties of cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium?
cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium has a molecular weight of 267.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium is sourced from PubChem (CID 18420112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).