bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium

C14H32NO4+ — CID 87738148

IUPACbis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
SMILESCCOCCOCC[N+](C)(C)CCOCCOCC
InChIInChI=1S/C14H32NO4/c1-5-16-11-13-18-9-7-15(3,4)8-10-19-14-12-17-6-2/h5-14H2,1-4H3/q+1
InChIKeyBZQJXTRHXSZYAT-UHFFFAOYSA-N
MW278.41 g/mol
LogP1.17
Rot. Bonds14

About bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium

bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium (PubChem CID 87738148) has the molecular formula C14H32NO4+ and a molecular weight of 278.41 g/mol. Its IUPAC name is bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium.

Molecular Properties

Compound Namebis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
PubChem CID87738148
Molecular FormulaC14H32NO4+
Molecular Weight278.41 g/mol
Exact Mass278.23
IUPAC Namebis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
SMILESCCOCCOCC[N+](C)(C)CCOCCOCC
InChIInChI=1S/C14H32NO4/c1-5-16-11-13-18-9-7-15(3,4)8-10-19-14-12-17-6-2/h5-14H2,1-4H3/q+1
InChIKeyBZQJXTRHXSZYAT-UHFFFAOYSA-N
XLogP1.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyethyl)-dimethylazanium bromide
CID 167445593
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
CID 121293209
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-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
CID 118952324
3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
CID 132605784
1,2-diethoxyethane;hydrofluoride
CID 175535770
tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]phosphane
CID 141418245

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium?
The IUPAC name of bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium (CID 87738148) is bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium.
What is the SMILES notation for bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium?
The canonical SMILES for bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium is CCOCCOCC[N+](C)(C)CCOCCOCC.
What is the InChIKey of bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium?
The InChIKey is BZQJXTRHXSZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO4/c1-5-16-11-13-18-9-7-15(3,4)8-10-19-14-12-17-6-2/h5-14H2,1-4H3/q+1.
What are the key properties of bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium?
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium has a molecular weight of 278.41 g/mol, XLogP of 1.17, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium is sourced from PubChem (CID 87738148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).