tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium

C22H50N2O+2 — CID 57187322

IUPACtripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium
SMILESCCC[N+](CCC)(CCC)CCOCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C22H50N2O/c1-7-13-23(14-8-2,15-9-3)19-21-25-22-20-24(16-10-4,17-11-5)18-12-6/h7-22H2,1-6H3/q+2
InChIKeyCXDDKEILYHTWFD-UHFFFAOYSA-N
MW358.66 g/mol
LogP5.10
Rot. Bonds18

About tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium

tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium (PubChem CID 57187322) has the molecular formula C22H50N2O+2 and a molecular weight of 358.66 g/mol. Its IUPAC name is tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium.

Molecular Properties

Compound Nametripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium
PubChem CID57187322
Molecular FormulaC22H50N2O+2
Molecular Weight358.66 g/mol
Exact Mass358.39
IUPAC Nametripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium
SMILESCCC[N+](CCC)(CCC)CCOCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C22H50N2O/c1-7-13-23(14-8-2,15-9-3)19-21-25-22-20-24(16-10-4,17-11-5)18-12-6/h7-22H2,1-6H3/q+2
InChIKeyCXDDKEILYHTWFD-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.66
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium?
The IUPAC name of tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium (CID 57187322) is tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium.
What is the SMILES notation for tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium?
The canonical SMILES for tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium is CCC[N+](CCC)(CCC)CCOCC[N+](CCC)(CCC)CCC.
What is the InChIKey of tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium?
The InChIKey is CXDDKEILYHTWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N2O/c1-7-13-23(14-8-2,15-9-3)19-21-25-22-20-24(16-10-4,17-11-5)18-12-6/h7-22H2,1-6H3/q+2.
What are the key properties of tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium?
tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium has a molecular weight of 358.66 g/mol, XLogP of 5.10, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium is sourced from PubChem (CID 57187322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).