2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride

C10H24ClNO2 — CID 121293209

IUPAC2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
SMILESCCOCCOCC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C10H24NO2.ClH/c1-5-11(3,4)7-8-13-10-9-12-6-2;/h5-10H2,1-4H3;1H/q+1;/p-1
InChIKeyLXHRDQXEIZYOST-UHFFFAOYSA-M
MW225.76 g/mol
LogP-1.86
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride

2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride (PubChem CID 121293209) has the molecular formula C10H24ClNO2 and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
PubChem CID121293209
Molecular FormulaC10H24ClNO2
Molecular Weight225.76 g/mol
Exact Mass225.15
IUPAC Name2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
SMILESCCOCCOCC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C10H24NO2.ClH/c1-5-11(3,4)7-8-13-10-9-12-6-2;/h5-10H2,1-4H3;1H/q+1;/p-1
InChIKeyLXHRDQXEIZYOST-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 ≤ 500225.76
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
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
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;6-methyl-3,4-dihydrooxathiazine
CID 121364164
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
2-ethoxyethoxymethyl(trimethyl)azanium chloride
CID 170555157
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
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 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride (CID 121293209) is 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride is CCOCCOCC[N+](C)(C)CC.[Cl-].
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride?
The InChIKey is LXHRDQXEIZYOST-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO2.ClH/c1-5-11(3,4)7-8-13-10-9-12-6-2;/h5-10H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride?
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride has a molecular weight of 225.76 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 2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride is sourced from PubChem (CID 121293209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).