4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane

Name: 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₁N — CID 156737667

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane

SMILESC=C/C(C)=C(\C=C)c1ccncc1.CCC

InChIInChI=1S/C12H13N.C3H8/c1-4-10(3)12(5-2)11-6-8-13-9-7-11;1-3-2/h4-9H,1-2H2,3H3;3H2,1-2H3/b12-10+;

InChIKeyAQDRWRNTRSIMFM-VHPXAQPISA-N

MW215.34 g/mol

LogP4.64

Rot. Bonds3

About 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane

4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane (PubChem CID 156737667) has the molecular formula C₁₅H₂₁N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane.

Molecular Properties

Compound Name	4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane
PubChem CID	156737667
Molecular Formula	C₁₅H₂₁N
Molecular Weight	215.34 g/mol
Exact Mass	215.17
IUPAC Name	4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane
SMILES	C=C/C(C)=C(\C=C)c1ccncc1.CCC
InChI	InChI=1S/C12H13N.C3H8/c1-4-10(3)12(5-2)11-6-8-13-9-7-11;1-3-2/h4-9H,1-2H2,3H3;3H2,1-2H3/b12-10+;
InChIKey	AQDRWRNTRSIMFM-VHPXAQPISA-N
XLogP	4.64
TPSA	12.89 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.34
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane?

The IUPAC name of 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane (CID 156737667) is 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane.

What is the SMILES notation for 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane?

The canonical SMILES for 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane is C=C/C(C)=C(\C=C)c1ccncc1.CCC.

What is the InChIKey of 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane?

The InChIKey is AQDRWRNTRSIMFM-VHPXAQPISA-N. The full InChI is InChI=1S/C12H13N.C3H8/c1-4-10(3)12(5-2)11-6-8-13-9-7-11;1-3-2/h4-9H,1-2H2,3H3;3H2,1-2H3/b12-10+;.

What are the key properties of 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane?

4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane has a molecular weight of 215.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane is sourced from PubChem (CID 156737667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156737667 — identifiers, structure, computed properties (public domain)

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