bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride

C12H28ClNO4 — CID 129073269

IUPACbis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
SMILESCOCCOCC[N+](C)(C)CCOCCOC.[Cl-]
InChIInChI=1S/C12H28NO4.ClH/c1-13(2,5-7-16-11-9-14-3)6-8-17-12-10-15-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeySPBDPHTXPUMXDM-UHFFFAOYSA-M
MW285.81 g/mol
LogP-2.61
Rot. Bonds12

About bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride

bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride (PubChem CID 129073269) has the molecular formula C12H28ClNO4 and a molecular weight of 285.81 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride.

Molecular Properties

Compound Namebis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
PubChem CID129073269
Molecular FormulaC12H28ClNO4
Molecular Weight285.81 g/mol
Exact Mass285.17
IUPAC Namebis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
SMILESCOCCOCC[N+](C)(C)CCOCCOC.[Cl-]
InChIInChI=1S/C12H28NO4.ClH/c1-13(2,5-7-16-11-9-14-3)6-8-17-12-10-15-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeySPBDPHTXPUMXDM-UHFFFAOYSA-M
XLogP-2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 5-2.61
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

2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
diethyl-[2-(2-methoxyethoxy)ethyl]-methylazanium chloride
CID 167445594
carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
CID 146852079
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
CID 90306950
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-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride?
The IUPAC name of bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride (CID 129073269) is bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride.
What is the SMILES notation for bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride?
The canonical SMILES for bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride is COCCOCC[N+](C)(C)CCOCCOC.[Cl-].
What is the InChIKey of bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride?
The InChIKey is SPBDPHTXPUMXDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28NO4.ClH/c1-13(2,5-7-16-11-9-14-3)6-8-17-12-10-15-4;/h5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride?
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride has a molecular weight of 285.81 g/mol, XLogP of -2.61, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride is sourced from PubChem (CID 129073269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).