2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine

C14H19N — CID 134309000

IUPAC2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine
SMILESCC(C)=C/C(C)=C(\C)c1cc(C)ccn1
InChIInChI=1S/C14H19N/c1-10(2)8-12(4)13(5)14-9-11(3)6-7-15-14/h6-9H,1-5H3/b13-12+
InChIKeyPAZRJKLQRXIBJS-OUKQBFOZSA-N
MW201.31 g/mol
LogP4.15
Rot. Bonds2

About 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine

2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine (PubChem CID 134309000) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine
PubChem CID134309000
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine
SMILESCC(C)=C/C(C)=C(\C)c1cc(C)ccn1
InChIInChI=1S/C14H19N/c1-10(2)8-12(4)13(5)14-9-11(3)6-7-15-14/h6-9H,1-5H3/b13-12+
InChIKeyPAZRJKLQRXIBJS-OUKQBFOZSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine?
The IUPAC name of 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine (CID 134309000) is 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine.
What is the SMILES notation for 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine?
The canonical SMILES for 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine is CC(C)=C/C(C)=C(\C)c1cc(C)ccn1.
What is the InChIKey of 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine?
The InChIKey is PAZRJKLQRXIBJS-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H19N/c1-10(2)8-12(4)13(5)14-9-11(3)6-7-15-14/h6-9H,1-5H3/b13-12+.
What are the key properties of 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine?
2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine has a molecular weight of 201.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-4-methylpyridine is sourced from PubChem (CID 134309000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).