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

C12H14N4 — CID 88968848

IUPAC2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCN
InChIInChI=1S/C12H14N4/c1-9-5-11(12(7-14)8-15)6-10(2)16(9)4-3-13/h5-6H,3-4,13H2,1-2H3
InChIKeyKLZQAZFFAOHUOC-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.41
Rot. Bonds2

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

2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile (PubChem CID 88968848) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile
PubChem CID88968848
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCN
InChIInChI=1S/C12H14N4/c1-9-5-11(12(7-14)8-15)6-10(2)16(9)4-3-13/h5-6H,3-4,13H2,1-2H3
InChIKeyKLZQAZFFAOHUOC-UHFFFAOYSA-N
XLogP1.41
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(2-aminoethyl)-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-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The IUPAC name of 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile (CID 88968848) is 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile.
What is the SMILES notation for 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The canonical SMILES for 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile is CC1=CC(=C(C#N)C#N)C=C(C)N1CCN.
What is the InChIKey of 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The InChIKey is KLZQAZFFAOHUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-5-11(12(7-14)8-15)6-10(2)16(9)4-3-13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile has a molecular weight of 214.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile is sourced from PubChem (CID 88968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).