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

C15H21N — CID 156737667

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 Name4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane
PubChem CID156737667
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4-[(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
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).