2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile

C15H19N3 — CID 2307984

IUPAC2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCC(C)C
InChIInChI=1S/C15H19N3/c1-11(2)5-6-18-12(3)7-14(8-13(18)4)15(9-16)10-17/h7-8,11H,5-6H2,1-4H3
InChIKeyNXWNDXGJWKADGF-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.50
Rot. Bonds3

About 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile

2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile (PubChem CID 2307984) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile
PubChem CID2307984
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCC(C)C
InChIInChI=1S/C15H19N3/c1-11(2)5-6-18-12(3)7-14(8-13(18)4)15(9-16)10-17/h7-8,11H,5-6H2,1-4H3
InChIKeyNXWNDXGJWKADGF-UHFFFAOYSA-N
XLogP3.50
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethyl-1-pentylpyridin-4-ylidene)propanedinitrile
CID 2307977
2-(2,6-Dimethyl-1-propan-2-yl-4-pyridinylidene)propanedinitrile
CID 2307848
(1-butyl-2,6-dimethylpyridin-4(1H)-ylidene)propanedinitrile
CID 3516772
2-(1-Ethyl-2,6-dimethyl-4-pyridinylidene)propanedinitrile
CID 88913628
2-[1-[2-(Dimethylamino)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
CID 2308346
2-[1-(2-Ethylpentyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile
CID 4444125
2-[2,6-Dimethyl-1-(3,5,5-trimethylhexyl)-4-pyridinylidene]propanedinitrile
CID 16737638
2-(1,2,6-Trimethyl-4-pyridinylidene)propanedinitrile
CID 16737639
1-N-(2-ethylhexyl)-4-dicyanomethylene-2,6-dimethyl-1,4-dihydropyridine
CID 16737823
2-Isocyano-2-(1,2,6-trimethyl-4-pyridinylidene)acetonitrile
CID 58943118
4-(1-Ethylpyrrolidin-2-ylidene)-2-methylbut-2-enenitrile
CID 59360290
2-(2,6-Dimethyl-1-propan-2-yl-4-pyridinylidene)-2-isocyanoacetonitrile
CID 59702699

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile?
The IUPAC name of 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile (CID 2307984) is 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile.
What is the SMILES notation for 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile?
The canonical SMILES for 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile is CC1=CC(=C(C#N)C#N)C=C(C)N1CCC(C)C.
What is the InChIKey of 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile?
The InChIKey is NXWNDXGJWKADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)5-6-18-12(3)7-14(8-13(18)4)15(9-16)10-17/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile?
2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile has a molecular weight of 241.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-1-(3-methylbutyl)-4-pyridinylidene]propanedinitrile is sourced from PubChem (CID 2307984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).