2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile

C14H18N4 — CID 2308346

IUPAC2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCN(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
InChIKeyFGGBGJRZTSQSBK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.01
Rot. Bonds3

About 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile

2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile (PubChem CID 2308346) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
PubChem CID2308346
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCN(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
InChIKeyFGGBGJRZTSQSBK-UHFFFAOYSA-N
XLogP2.01
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile (CID 2308346) is 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile is CC1=CC(=C(C#N)C#N)C=C(C)N1CCN(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The InChIKey is FGGBGJRZTSQSBK-UHFFFAOYSA-N. 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.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile has a molecular weight of 242.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile is sourced from PubChem (CID 2308346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).