[2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium

C15H28N5O2+ — CID 164942733

IUPAC[2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)CC(=O)OCCc1ncnc(N(C)C)n1
InChIInChI=1S/C15H28N5O2/c1-6-20(7-2,8-3)11-14(21)22-10-9-13-16-12-17-15(18-13)19(4)5/h12H,6-11H2,1-5H3/q+1
InChIKeyWUGIBWLYBQVBEY-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.90
Rot. Bonds9

About [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium

[2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium (PubChem CID 164942733) has the molecular formula C15H28N5O2+ and a molecular weight of 310.42 g/mol. Its IUPAC name is [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium.

Molecular Properties

Compound Name[2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium
PubChem CID164942733
Molecular FormulaC15H28N5O2+
Molecular Weight310.42 g/mol
Exact Mass310.22
IUPAC Name[2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)CC(=O)OCCc1ncnc(N(C)C)n1
InChIInChI=1S/C15H28N5O2/c1-6-20(7-2,8-3)11-14(21)22-10-9-13-16-12-17-15(18-13)19(4)5/h12H,6-11H2,1-5H3/q+1
InChIKeyWUGIBWLYBQVBEY-UHFFFAOYSA-N
XLogP0.90
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium?
The IUPAC name of [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium (CID 164942733) is [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium.
What is the SMILES notation for [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium?
The canonical SMILES for [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium is CC[N+](CC)(CC)CC(=O)OCCc1ncnc(N(C)C)n1.
What is the InChIKey of [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium?
The InChIKey is WUGIBWLYBQVBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N5O2/c1-6-20(7-2,8-3)11-14(21)22-10-9-13-16-12-17-15(18-13)19(4)5/h12H,6-11H2,1-5H3/q+1.
What are the key properties of [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium?
[2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium has a molecular weight of 310.42 g/mol, XLogP of 0.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-2-oxoethyl]-triethylazanium is sourced from PubChem (CID 164942733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).