bis(2-ethoxyethyl)-dimethylazanium bromide

C10H24BrNO2 — CID 167445593

IUPACbis(2-ethoxyethyl)-dimethylazanium bromide
SMILESCCOCC[N+](C)(C)CCOCC.[Br-]
InChIInChI=1S/C10H24NO2.BrH/c1-5-12-9-7-11(3,4)8-10-13-6-2;/h5-10H2,1-4H3;1H/q+1;/p-1
InChIKeyMRSZHFGAECAMIV-UHFFFAOYSA-M
MW270.21 g/mol
LogP-1.86
Rot. Bonds8

About bis(2-ethoxyethyl)-dimethylazanium bromide

bis(2-ethoxyethyl)-dimethylazanium bromide (PubChem CID 167445593) has the molecular formula C10H24BrNO2 and a molecular weight of 270.21 g/mol. Its IUPAC name is bis(2-ethoxyethyl)-dimethylazanium bromide.

Molecular Properties

Compound Namebis(2-ethoxyethyl)-dimethylazanium bromide
PubChem CID167445593
Molecular FormulaC10H24BrNO2
Molecular Weight270.21 g/mol
Exact Mass269.10
IUPAC Namebis(2-ethoxyethyl)-dimethylazanium bromide
SMILESCCOCC[N+](C)(C)CCOCC.[Br-]
InChIInChI=1S/C10H24NO2.BrH/c1-5-12-9-7-11(3,4)8-10-13-6-2;/h5-10H2,1-4H3;1H/q+1;/p-1
InChIKeyMRSZHFGAECAMIV-UHFFFAOYSA-M
XLogP-1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-1.86
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
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
CID 121293209
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
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
2-ethoxyethyl-diethyl-propylazanium bromide
CID 167445603
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
1,2-diethoxyethane;hydrofluoride
CID 175535770
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxymethoxy]ethyl]-dimethylazanium
CID 138394683
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethyl)-dimethylazanium bromide?
The IUPAC name of bis(2-ethoxyethyl)-dimethylazanium bromide (CID 167445593) is bis(2-ethoxyethyl)-dimethylazanium bromide.
What is the SMILES notation for bis(2-ethoxyethyl)-dimethylazanium bromide?
The canonical SMILES for bis(2-ethoxyethyl)-dimethylazanium bromide is CCOCC[N+](C)(C)CCOCC.[Br-].
What is the InChIKey of bis(2-ethoxyethyl)-dimethylazanium bromide?
The InChIKey is MRSZHFGAECAMIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO2.BrH/c1-5-12-9-7-11(3,4)8-10-13-6-2;/h5-10H2,1-4H3;1H/q+1;/p-1.
What are the key properties of bis(2-ethoxyethyl)-dimethylazanium bromide?
bis(2-ethoxyethyl)-dimethylazanium bromide has a molecular weight of 270.21 g/mol, XLogP of -1.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethyl)-dimethylazanium bromide is sourced from PubChem (CID 167445593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).