3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane

C15H25N — CID 143845327

IUPAC3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
SMILESC=C/C=C\c1cc(C)cnc1C.CC.CC
InChIInChI=1S/C11H13N.2C2H6/c1-4-5-6-11-7-9(2)8-12-10(11)3;2*1-2/h4-8H,1H2,2-3H3;2*1-2H3/b6-5-;;
InChIKeyKISSTYQDVGICFS-XNOMRPDFSA-N
MW219.37 g/mol
LogP4.95
Rot. Bonds2

About 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane

3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane (PubChem CID 143845327) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
PubChem CID143845327
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
SMILESC=C/C=C\c1cc(C)cnc1C.CC.CC
InChIInChI=1S/C11H13N.2C2H6/c1-4-5-6-11-7-9(2)8-12-10(11)3;2*1-2/h4-8H,1H2,2-3H3;2*1-2H3/b6-5-;;
InChIKeyKISSTYQDVGICFS-XNOMRPDFSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine
CID 142880366
2,5-dimethylpyridine-3-carbaldehyde
CID 18731661
5-buta-1,3-dienyl-2,3-dimethylpyridine
CID 134859685
[2-[(1Z)-buta-1,3-dienyl]-5-methyl-3-pyridinyl]methanolate
CID 144589862
3-but-3-enyl-2,5-dimethylpyridine
CID 143845361
1-[(1Z)-buta-1,3-dienyl]-3-chloro-2,5-dimethylbenzene
CID 155007916
[2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol
CID 141492715
6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane
CID 176696462
3-ethenyl-2-ethyl-5-methylpyridine
CID 74889262
5-bromo-2-methyl-3-[(1E)-penta-1,4-dienyl]pyridine
CID 144914180
2-[(1E)-buta-1,3-dienyl]-4,6-dimethylpyridine
CID 22151764
2-buta-1,3-dienyl-4,6-dimethylpyridine
CID 54534076

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane (CID 143845327) is 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane is C=C/C=C\c1cc(C)cnc1C.CC.CC.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane?
The InChIKey is KISSTYQDVGICFS-XNOMRPDFSA-N. The full InChI is InChI=1S/C11H13N.2C2H6/c1-4-5-6-11-7-9(2)8-12-10(11)3;2*1-2/h4-8H,1H2,2-3H3;2*1-2H3/b6-5-;;.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane?
3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane has a molecular weight of 219.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane is sourced from PubChem (CID 143845327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).