2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile

C15H19N3 — CID 2307977

IUPAC2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile
SMILESCCCCCN1C(C)=CC(=C(C#N)C#N)C=C1C
InChIInChI=1S/C15H19N3/c1-4-5-6-7-18-12(2)8-14(9-13(18)3)15(10-16)11-17/h8-9H,4-7H2,1-3H3
InChIKeyZHNYHUDIKXFRNI-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.64
Rot. Bonds4

About 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile

2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile (PubChem CID 2307977) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile
PubChem CID2307977
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile
SMILESCCCCCN1C(C)=CC(=C(C#N)C#N)C=C1C
InChIInChI=1S/C15H19N3/c1-4-5-6-7-18-12(2)8-14(9-13(18)3)15(10-16)11-17/h8-9H,4-7H2,1-3H3
InChIKeyZHNYHUDIKXFRNI-UHFFFAOYSA-N
XLogP3.64
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-Dimethyl-1-(3-methylbutyl)pyridin-4-ylidene]propanedinitrile
CID 2307984
2-[(2E)-2-(1-pentylpyridin-2-ylidene)ethylidene]propanedinitrile
CID 5899874
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-Dodecyl-2,6-dimethyl-4-pyridinylidene)propanedinitrile
CID 16737491
2-(3-Pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile
CID 100966250
4-Pyrrolidin-1-ylcyclohexa-1,3-diene-1-carbonitrile
CID 134863393
2-(2,6-Dimethyl-1-octyl-4-pyridinylidene)propanedinitrile
CID 168339786
(E,3E)-3-(1-fluoroethylidene)-5-piperidin-1-ylhept-4-enenitrile
CID 144045784
2-[1-(2-Ethylpentyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile
CID 4444125

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile?
The IUPAC name of 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile (CID 2307977) is 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile.
What is the SMILES notation for 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile?
The canonical SMILES for 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile is CCCCCN1C(C)=CC(=C(C#N)C#N)C=C1C.
What is the InChIKey of 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile?
The InChIKey is ZHNYHUDIKXFRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-5-6-7-18-12(2)8-14(9-13(18)3)15(10-16)11-17/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile?
2-(2,6-dimethyl-1-pentyl-4-pyridinylidene)propanedinitrile has a molecular weight of 241.34 g/mol, XLogP of 3.64, 4 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-pentyl-4-pyridinylidene)propanedinitrile is sourced from PubChem (CID 2307977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).