2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium

C14H19N4+ — CID 2308345

IUPAC2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CC[NH+](C)C
InChIInChI=1S/C14H18N4/c1-11-7-13(14(9-15)10-16)8-12(2)18(11)6-5-17(3)4/h7-8H,5-6H2,1-4H3/p+1
InChIKeyFGGBGJRZTSQSBK-UHFFFAOYSA-O
MW243.33 g/mol
LogP0.60
Rot. Bonds3

About 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium

2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium (PubChem CID 2308345) has the molecular formula C14H19N4+ and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium
PubChem CID2308345
Molecular FormulaC14H19N4+
Molecular Weight243.33 g/mol
Exact Mass243.16
IUPAC Name2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CC[NH+](C)C
InChIInChI=1S/C14H18N4/c1-11-7-13(14(9-15)10-16)8-12(2)18(11)6-5-17(3)4/h7-8H,5-6H2,1-4H3/p+1
InChIKeyFGGBGJRZTSQSBK-UHFFFAOYSA-O
XLogP0.60
TPSA55.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium?
The IUPAC name of 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium (CID 2308345) is 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium is CC1=CC(=C(C#N)C#N)C=C(C)N1CC[NH+](C)C.
What is the InChIKey of 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium?
The InChIKey is FGGBGJRZTSQSBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N4/c1-11-7-13(14(9-15)10-16)8-12(2)18(11)6-5-17(3)4/h7-8H,5-6H2,1-4H3/p+1.
What are the key properties of 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium?
2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium has a molecular weight of 243.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium is sourced from PubChem (CID 2308345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).