(4-cyanophenyl)methyl-triethylazanium

C14H21N2+ — CID 86051622

IUPAC(4-cyanophenyl)methyl-triethylazanium
SMILESCC[N+](CC)(CC)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H21N2/c1-4-16(5-2,6-3)12-14-9-7-13(11-15)8-10-14/h7-10H,4-6,12H2,1-3H3/q+1
InChIKeyOVYKUHYJBKOUFE-UHFFFAOYSA-N
MW217.34 g/mol
LogP2.93
Rot. Bonds5

About (4-cyanophenyl)methyl-triethylazanium

(4-cyanophenyl)methyl-triethylazanium (PubChem CID 86051622) has the molecular formula C14H21N2+ and a molecular weight of 217.34 g/mol. Its IUPAC name is (4-cyanophenyl)methyl-triethylazanium.

Molecular Properties

Compound Name(4-cyanophenyl)methyl-triethylazanium
PubChem CID86051622
Molecular FormulaC14H21N2+
Molecular Weight217.34 g/mol
Exact Mass217.17
IUPAC Name(4-cyanophenyl)methyl-triethylazanium
SMILESCC[N+](CC)(CC)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H21N2/c1-4-16(5-2,6-3)12-14-9-7-13(11-15)8-10-14/h7-10H,4-6,12H2,1-3H3/q+1
InChIKeyOVYKUHYJBKOUFE-UHFFFAOYSA-N
XLogP2.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-cyanophenyl)methyl-triethylazanium 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-[(4-fluorophenyl)methyl]azanium
CID 178182552
4-ethylbenzonitrile;fluoromethane
CID 143083977
4-[[(4-cyanophenyl)methyldisulfanyl]methyl]benzonitrile
CID 11044672
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[2-(4-pentylphenyl)ethynyl]benzonitrile
CID 57358257
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
4-heptylbenzonitrile
CID 575863
4-(dimethylbismuthanylmethyl)benzonitrile
CID 87372760
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-(2-cyano-2-methylpropyl)benzonitrile
CID 11830101
4-but-2-ynylbenzonitrile
CID 143961850
4-(4-propylphenoxy)benzonitrile
CID 20986267

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl-triethylazanium?
The IUPAC name of (4-cyanophenyl)methyl-triethylazanium (CID 86051622) is (4-cyanophenyl)methyl-triethylazanium.
What is the SMILES notation for (4-cyanophenyl)methyl-triethylazanium?
The canonical SMILES for (4-cyanophenyl)methyl-triethylazanium is CC[N+](CC)(CC)Cc1ccc(C#N)cc1.
What is the InChIKey of (4-cyanophenyl)methyl-triethylazanium?
The InChIKey is OVYKUHYJBKOUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N2/c1-4-16(5-2,6-3)12-14-9-7-13(11-15)8-10-14/h7-10H,4-6,12H2,1-3H3/q+1.
What are the key properties of (4-cyanophenyl)methyl-triethylazanium?
(4-cyanophenyl)methyl-triethylazanium has a molecular weight of 217.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl-triethylazanium is sourced from PubChem (CID 86051622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).