tetraethylazanium cyanide

C9H20N2 — CID 3014735

IUPACtetraethylazanium cyanide
SMILESCC[N+](CC)(CC)CC.[C-]#N
InChIInChI=1S/C8H20N.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1
InChIKeyPCZOZSATUTWXIC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.98
Rot. Bonds4

About tetraethylazanium cyanide

tetraethylazanium cyanide (PubChem CID 3014735) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is tetraethylazanium cyanide.

Molecular Properties

Compound Nametetraethylazanium cyanide
PubChem CID3014735
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nametetraethylazanium cyanide
SMILESCC[N+](CC)(CC)CC.[C-]#N
InChIInChI=1S/C8H20N.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1
InChIKeyPCZOZSATUTWXIC-UHFFFAOYSA-N
XLogP1.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetraethylazanium cyanide?
The IUPAC name of tetraethylazanium cyanide (CID 3014735) is tetraethylazanium cyanide.
What is the SMILES notation for tetraethylazanium cyanide?
The canonical SMILES for tetraethylazanium cyanide is CC[N+](CC)(CC)CC.[C-]#N.
What is the InChIKey of tetraethylazanium cyanide?
The InChIKey is PCZOZSATUTWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of tetraethylazanium cyanide?
tetraethylazanium cyanide has a molecular weight of 156.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium cyanide is sourced from PubChem (CID 3014735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).