tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium

C30H66N2O2+2 — CID 15044940

IUPACtributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium
SMILESCCCC[N+](CCCC)(CCCC)CCOCCOCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C30H66N2O2/c1-7-13-19-31(20-14-8-2,21-15-9-3)25-27-33-29-30-34-28-26-32(22-16-10-4,23-17-11-5)24-18-12-6/h7-30H2,1-6H3/q+2
InChIKeyDLNPADJPNWNRCV-UHFFFAOYSA-N
MW486.87 g/mol
LogP7.45
Rot. Bonds27

About tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium

tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium (PubChem CID 15044940) has the molecular formula C30H66N2O2+2 and a molecular weight of 486.87 g/mol. Its IUPAC name is tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium.

Molecular Properties

Compound Nametributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium
PubChem CID15044940
Molecular FormulaC30H66N2O2+2
Molecular Weight486.87 g/mol
Exact Mass486.51
IUPAC Nametributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium
SMILESCCCC[N+](CCCC)(CCCC)CCOCCOCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C30H66N2O2/c1-7-13-19-31(20-14-8-2,21-15-9-3)25-27-33-29-30-34-28-26-32(22-16-10-4,23-17-11-5)24-18-12-6/h7-30H2,1-6H3/q+2
InChIKeyDLNPADJPNWNRCV-UHFFFAOYSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.87
LogP ≤ 57.45
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-octadecoxyethoxy)ethyl-tripropylazanium chloride
CID 88506808
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium
CID 167595524
triethyl-[2-(2-propoxyethoxy)ethyl]azanium
CID 88980838
tetrabutylazanium;hydrobromide;dihydrochloride
CID 175588287
iron;tetrabutylazanium;chloride
CID 157427266
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium?
The IUPAC name of tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium (CID 15044940) is tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium.
What is the SMILES notation for tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium?
The canonical SMILES for tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium is CCCC[N+](CCCC)(CCCC)CCOCCOCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium?
The InChIKey is DLNPADJPNWNRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66N2O2/c1-7-13-19-31(20-14-8-2,21-15-9-3)25-27-33-29-30-34-28-26-32(22-16-10-4,23-17-11-5)24-18-12-6/h7-30H2,1-6H3/q+2.
What are the key properties of tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium?
tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium has a molecular weight of 486.87 g/mol, XLogP of 7.45, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium is sourced from PubChem (CID 15044940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).