2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine

C15H19N — CID 177235271

IUPAC2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine
SMILESC=C(C)/C=C(\C=C(C)C)c1ccc(C)cn1
InChIInChI=1S/C15H19N/c1-11(2)8-14(9-12(3)4)15-7-6-13(5)10-16-15/h6-10H,1H2,2-5H3/b14-8+
InChIKeyQTTATSNJTUCKNO-RIYZIHGNSA-N
MW213.32 g/mol
LogP4.32
Rot. Bonds3

About 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine

2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine (PubChem CID 177235271) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine
PubChem CID177235271
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine
SMILESC=C(C)/C=C(\C=C(C)C)c1ccc(C)cn1
InChIInChI=1S/C15H19N/c1-11(2)8-14(9-12(3)4)15-7-6-13(5)10-16-15/h6-10H,1H2,2-5H3/b14-8+
InChIKeyQTTATSNJTUCKNO-RIYZIHGNSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.32
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-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine?
The IUPAC name of 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine (CID 177235271) is 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine.
What is the SMILES notation for 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine?
The canonical SMILES for 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine is C=C(C)/C=C(\C=C(C)C)c1ccc(C)cn1.
What is the InChIKey of 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine?
The InChIKey is QTTATSNJTUCKNO-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H19N/c1-11(2)8-14(9-12(3)4)15-7-6-13(5)10-16-15/h6-10H,1H2,2-5H3/b14-8+.
What are the key properties of 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine?
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine has a molecular weight of 213.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine is sourced from PubChem (CID 177235271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).