trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride

C12H31ClN2O2+2 — CID 174841287

IUPACtrimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
SMILESC[N+](C)(C)CCOCCOCC[N+](C)(C)C.Cl
InChIInChI=1S/C12H30N2O2.ClH/c1-13(2,3)7-9-15-11-12-16-10-8-14(4,5)6;/h7-12H2,1-6H3;1H/q+2;
InChIKeyPQDGYECOQSJLJW-UHFFFAOYSA-N
MW270.85 g/mol
LogP0.85
Rot. Bonds9

About trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride

trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride (PubChem CID 174841287) has the molecular formula C12H31ClN2O2+2 and a molecular weight of 270.85 g/mol. Its IUPAC name is trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride.

Molecular Properties

Compound Nametrimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
PubChem CID174841287
Molecular FormulaC12H31ClN2O2+2
Molecular Weight270.85 g/mol
Exact Mass270.21
IUPAC Nametrimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
SMILESC[N+](C)(C)CCOCCOCC[N+](C)(C)C.Cl
InChIInChI=1S/C12H30N2O2.ClH/c1-13(2,3)7-9-15-11-12-16-10-8-14(4,5)6;/h7-12H2,1-6H3;1H/q+2;
InChIKeyPQDGYECOQSJLJW-UHFFFAOYSA-N
XLogP0.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.85
LogP ≤ 50.85
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

2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
CID 157230950
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium
CID 175060637
dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
CID 118952324
2-(3-carboxypropoxy)ethyl-trimethylazanium
CID 175598253
hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate
CID 172848075
phosphorous acid;trimethyl(2-octadecoxyethyl)azanium
CID 174575298
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium
CID 3670521

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride?
The IUPAC name of trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride (CID 174841287) is trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride.
What is the SMILES notation for trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride?
The canonical SMILES for trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride is C[N+](C)(C)CCOCCOCC[N+](C)(C)C.Cl.
What is the InChIKey of trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride?
The InChIKey is PQDGYECOQSJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O2.ClH/c1-13(2,3)7-9-15-11-12-16-10-8-14(4,5)6;/h7-12H2,1-6H3;1H/q+2;.
What are the key properties of trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride?
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride has a molecular weight of 270.85 g/mol, XLogP of 0.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride is sourced from PubChem (CID 174841287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).