4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine

C19H27N — CID 123193848

IUPAC4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine
SMILESC=C(C)C(C)=CCC(=C)c1ccnc(CCCCC)c1
InChIInChI=1S/C19H27N/c1-6-7-8-9-19-14-18(12-13-20-19)17(5)11-10-16(4)15(2)3/h10,12-14H,2,5-9,11H2,1,3-4H3
InChIKeyPHPFGFGIIBEYJK-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.74
Rot. Bonds8

About 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine

4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine (PubChem CID 123193848) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine.

Molecular Properties

Compound Name4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine
PubChem CID123193848
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine
SMILESC=C(C)C(C)=CCC(=C)c1ccnc(CCCCC)c1
InChIInChI=1S/C19H27N/c1-6-7-8-9-19-14-18(12-13-20-19)17(5)11-10-16(4)15(2)3/h10,12-14H,2,5-9,11H2,1,3-4H3
InChIKeyPHPFGFGIIBEYJK-UHFFFAOYSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-tetradecylpyridine-4-carbonyl chloride
CID 154124340
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
4-chloro-2-heptylpyridine
CID 166820805
4-tert-butyl-2-pentylpyridine
CID 129189676
2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine
CID 165138381
4-(2,2-dimethylpropyl)-2-pentylpyridine
CID 129191478
(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene
CID 144514030
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-hexyl-2-pyrimidin-2-ylpyrimidine
CID 67173308
4-(4-chlorophenyl)-2-pentylpyridine
CID 146458832
ethane;4-pent-1-en-2-ylpyridin-2-amine
CID 142560511
1-[2-(aminomethyl)-4-pyridinyl]-2-methylprop-2-en-1-one
CID 116601826

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine?
The IUPAC name of 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine (CID 123193848) is 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine.
What is the SMILES notation for 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine?
The canonical SMILES for 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine is C=C(C)C(C)=CCC(=C)c1ccnc(CCCCC)c1.
What is the InChIKey of 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine?
The InChIKey is PHPFGFGIIBEYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-6-7-8-9-19-14-18(12-13-20-19)17(5)11-10-16(4)15(2)3/h10,12-14H,2,5-9,11H2,1,3-4H3.
What are the key properties of 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine?
4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine has a molecular weight of 269.43 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine is sourced from PubChem (CID 123193848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).