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

C14H17N3O2 — CID 34055896

IUPAC2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCOCCO
InChIInChI=1S/C14H17N3O2/c1-11-7-13(14(9-15)10-16)8-12(2)17(11)3-5-19-6-4-18/h7-8,18H,3-6H2,1-2H3
InChIKeyJJLGUNORSYZKKS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.46
Rot. Bonds5

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

2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile (PubChem CID 34055896) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
PubChem CID34055896
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCOCCO
InChIInChI=1S/C14H17N3O2/c1-11-7-13(14(9-15)10-16)8-12(2)17(11)3-5-19-6-4-18/h7-8,18H,3-6H2,1-2H3
InChIKeyJJLGUNORSYZKKS-UHFFFAOYSA-N
XLogP1.46
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The IUPAC name of 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile (CID 34055896) is 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The canonical SMILES for 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile is CC1=CC(=C(C#N)C#N)C=C(C)N1CCOCCO.
What is the InChIKey of 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The InChIKey is JJLGUNORSYZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-7-13(14(9-15)10-16)8-12(2)17(11)3-5-19-6-4-18/h7-8,18H,3-6H2,1-2H3.
What are the key properties of 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile has a molecular weight of 259.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile is sourced from PubChem (CID 34055896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).