dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium

C15H36N2O2+2 — CID 118952324

IUPACdimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
SMILESCCCOCCOCC[N+](C)(C)CCC[N+](C)(C)C
InChIInChI=1S/C15H36N2O2/c1-7-12-18-14-15-19-13-11-17(5,6)10-8-9-16(2,3)4/h7-15H2,1-6H3/q+2
InChIKeyVAXTXKZTTLZKRN-UHFFFAOYSA-N
MW276.46 g/mol
LogP1.60
Rot. Bonds12

About dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium

dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium (PubChem CID 118952324) has the molecular formula C15H36N2O2+2 and a molecular weight of 276.46 g/mol. Its IUPAC name is dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
PubChem CID118952324
Molecular FormulaC15H36N2O2+2
Molecular Weight276.46 g/mol
Exact Mass276.28
IUPAC Namedimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
SMILESCCCOCCOCC[N+](C)(C)CCC[N+](C)(C)C
InChIInChI=1S/C15H36N2O2/c1-7-12-18-14-15-19-13-11-17(5,6)10-8-9-16(2,3)4/h7-15H2,1-6H3/q+2
InChIKeyVAXTXKZTTLZKRN-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 51.60
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

ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
CID 132605784
2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium
CID 5176685
4-hydroxybutyl-[2-[2-[2-[4-hydroxybutyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
CID 153362918
2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride
CID 18527385
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
hexyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide
CID 71341601
dimethyl-octadecyl-[3-(trimethylazaniumyl)propyl]azanium chloride
CID 167995923
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxymethoxy]ethyl]-dimethylazanium
CID 138394683
2-(2-hydroxyethoxy)ethyl-dimethyl-octadecylazanium
CID 5193628

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium?
The IUPAC name of dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium (CID 118952324) is dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium.
What is the SMILES notation for dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium?
The canonical SMILES for dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium is CCCOCCOCC[N+](C)(C)CCC[N+](C)(C)C.
What is the InChIKey of dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium?
The InChIKey is VAXTXKZTTLZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N2O2/c1-7-12-18-14-15-19-13-11-17(5,6)10-8-9-16(2,3)4/h7-15H2,1-6H3/q+2.
What are the key properties of dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium?
dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium has a molecular weight of 276.46 g/mol, XLogP of 1.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium is sourced from PubChem (CID 118952324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).