butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium

C20H46N2O+2 — CID 14250795

IUPACbutyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium
SMILESCCCC[N+](CC)(CC)CCOCC[N+](CC)(CC)CCCC
InChIInChI=1S/C20H46N2O/c1-7-13-15-21(9-3,10-4)17-19-23-20-18-22(11-5,12-6)16-14-8-2/h7-20H2,1-6H3/q+2
InChIKeySBMSGOAANXPGFZ-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.32
Rot. Bonds16

About butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium

butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium (PubChem CID 14250795) has the molecular formula C20H46N2O+2 and a molecular weight of 330.60 g/mol. Its IUPAC name is butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium.

Molecular Properties

Compound Namebutyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium
PubChem CID14250795
Molecular FormulaC20H46N2O+2
Molecular Weight330.60 g/mol
Exact Mass330.36
IUPAC Namebutyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium
SMILESCCCC[N+](CC)(CC)CCOCC[N+](CC)(CC)CCCC
InChIInChI=1S/C20H46N2O/c1-7-13-15-21(9-3,10-4)17-19-23-20-18-22(11-5,12-6)16-14-8-2/h7-20H2,1-6H3/q+2
InChIKeySBMSGOAANXPGFZ-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.32
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 butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium?
The IUPAC name of butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium (CID 14250795) is butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium.
What is the SMILES notation for butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium?
The canonical SMILES for butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium is CCCC[N+](CC)(CC)CCOCC[N+](CC)(CC)CCCC.
What is the InChIKey of butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium?
The InChIKey is SBMSGOAANXPGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N2O/c1-7-13-15-21(9-3,10-4)17-19-23-20-18-22(11-5,12-6)16-14-8-2/h7-20H2,1-6H3/q+2.
What are the key properties of butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium?
butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium has a molecular weight of 330.60 g/mol, XLogP of 4.32, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium is sourced from PubChem (CID 14250795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).