triethyl-[2-(2-propoxyethoxy)ethyl]azanium

C13H30NO2+ — CID 88980838

IUPACtriethyl-[2-(2-propoxyethoxy)ethyl]azanium
SMILESCCCOCCOCC[N+](CC)(CC)CC
InChIInChI=1S/C13H30NO2/c1-5-10-15-12-13-16-11-9-14(6-2,7-3)8-4/h5-13H2,1-4H3/q+1
InChIKeyFJSDZXQJKDSCDM-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.31
Rot. Bonds11

About triethyl-[2-(2-propoxyethoxy)ethyl]azanium

triethyl-[2-(2-propoxyethoxy)ethyl]azanium (PubChem CID 88980838) has the molecular formula C13H30NO2+ and a molecular weight of 232.39 g/mol. Its IUPAC name is triethyl-[2-(2-propoxyethoxy)ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-(2-propoxyethoxy)ethyl]azanium
PubChem CID88980838
Molecular FormulaC13H30NO2+
Molecular Weight232.39 g/mol
Exact Mass232.23
IUPAC Nametriethyl-[2-(2-propoxyethoxy)ethyl]azanium
SMILESCCCOCCOCC[N+](CC)(CC)CC
InChIInChI=1S/C13H30NO2/c1-5-10-15-12-13-16-11-9-14(6-2,7-3)8-4/h5-13H2,1-4H3/q+1
InChIKeyFJSDZXQJKDSCDM-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.31
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'}

Analyze triethyl-[2-(2-propoxyethoxy)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethyl-[2-(2-methoxyethoxy)ethyl]azanium tetrafluoroborate
CID 87737614
tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium
CID 15044940
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
2-ethoxyethyl-diethyl-propylazanium bromide
CID 167445603
triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
CID 57258749
triethyl(2-methoxyethyl)azanium
CID 3026728
triethyl-[3-[2-(2-methoxyethoxy)ethoxy]propyl]azanium
CID 135364479
tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide
CID 173388150
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
2-(2-octadecoxyethoxy)ethyl-tripropylazanium chloride
CID 88506808
ethane;propane;1-propoxypropane
CID 143757970
dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
CID 118952324

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(2-propoxyethoxy)ethyl]azanium?
The IUPAC name of triethyl-[2-(2-propoxyethoxy)ethyl]azanium (CID 88980838) is triethyl-[2-(2-propoxyethoxy)ethyl]azanium.
What is the SMILES notation for triethyl-[2-(2-propoxyethoxy)ethyl]azanium?
The canonical SMILES for triethyl-[2-(2-propoxyethoxy)ethyl]azanium is CCCOCCOCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[2-(2-propoxyethoxy)ethyl]azanium?
The InChIKey is FJSDZXQJKDSCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO2/c1-5-10-15-12-13-16-11-9-14(6-2,7-3)8-4/h5-13H2,1-4H3/q+1.
What are the key properties of triethyl-[2-(2-propoxyethoxy)ethyl]azanium?
triethyl-[2-(2-propoxyethoxy)ethyl]azanium has a molecular weight of 232.39 g/mol, XLogP of 2.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(2-propoxyethoxy)ethyl]azanium is sourced from PubChem (CID 88980838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).