Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium

C18H42N2O+2 — CID 46898

IUPACtriethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium
SMILESCC[N+](CC)(CC)CCCOCCC[N+](CC)(CC)CC
InChIInChI=1S/C18H42N2O/c1-7-19(8-2,9-3)15-13-17-21-18-14-16-20(10-4,11-5)12-6/h7-18H2,1-6H3/q+2
InChIKeyZCPZOGOXNQWIBR-UHFFFAOYSA-N
MW302.50 g/mol
LogP3.10
Rot. Bonds14

About Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium

Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium (PubChem CID 46898) has the molecular formula C18H42N2O+2 and a molecular weight of 302.50 g/mol. Its IUPAC name is triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium.

Molecular Properties

Compound NameTriethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium
PubChem CID46898
Molecular FormulaC18H42N2O+2
Molecular Weight302.50 g/mol
Exact Mass302.33
IUPAC Nametriethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium
SMILESCC[N+](CC)(CC)CCCOCCC[N+](CC)(CC)CC
InChIInChI=1S/C18H42N2O/c1-7-19(8-2,9-3)15-13-17-21-18-14-16-20(10-4,11-5)12-6/h7-18H2,1-6H3/q+2
InChIKeyZCPZOGOXNQWIBR-UHFFFAOYSA-N
XLogP3.10
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity195

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 53.10
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 Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium?
The IUPAC name of Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium (CID 46898) is triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium.
What is the SMILES notation for Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium?
The canonical SMILES for Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium is CC[N+](CC)(CC)CCCOCCC[N+](CC)(CC)CC.
What is the InChIKey of Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium?
The InChIKey is ZCPZOGOXNQWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N2O/c1-7-19(8-2,9-3)15-13-17-21-18-14-16-20(10-4,11-5)12-6/h7-18H2,1-6H3/q+2.
What are the key properties of Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium?
Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium has a molecular weight of 302.50 g/mol, XLogP of 3.10, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium is sourced from PubChem (CID 46898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).