2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium

C15H36N2O2+2 — CID 102439833

IUPAC2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CCOCC[N+](C)(C)CCOCC
InChIInChI=1S/C15H36N2O2/c1-7-9-16(3,4)11-14-19-15-12-17(5,6)10-13-18-8-2/h7-15H2,1-6H3/q+2
InChIKeyAPWGQCKURPZYQH-UHFFFAOYSA-N
MW276.46 g/mol
LogP1.60
Rot. Bonds12

About 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium

2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium (PubChem CID 102439833) has the molecular formula C15H36N2O2+2 and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
PubChem CID102439833
Molecular FormulaC15H36N2O2+2
Molecular Weight276.46 g/mol
Exact Mass276.28
IUPAC Name2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CCOCC[N+](C)(C)CCOCC
InChIInChI=1S/C15H36N2O2/c1-7-9-16(3,4)11-14-19-15-12-17(5,6)10-13-18-8-2/h7-15H2,1-6H3/q+2
InChIKeyAPWGQCKURPZYQH-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
bis(2-ethoxyethyl)-dimethylazanium bromide
CID 167445593
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
CID 121293209
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
dimethyl(dipropyl)azanium chloride
CID 19774441
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
CID 118952324
2-ethoxyethyl-diethyl-propylazanium bromide
CID 167445603
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
2-(2-hydroxyethoxy)ethyl-dimethyl-octadecylazanium
CID 5193628

Frequently Asked Questions

What is the IUPAC name of 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium?
The IUPAC name of 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium (CID 102439833) is 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium.
What is the SMILES notation for 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium?
The canonical SMILES for 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium is CCC[N+](C)(C)CCOCC[N+](C)(C)CCOCC.
What is the InChIKey of 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium?
The InChIKey is APWGQCKURPZYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N2O2/c1-7-9-16(3,4)11-14-19-15-12-17(5,6)10-13-18-8-2/h7-15H2,1-6H3/q+2.
What are the key properties of 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium?
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium has a molecular weight of 276.46 g/mol, XLogP of 1.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium is sourced from PubChem (CID 102439833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).