2-(4-prop-2-enyloct-1-en-4-yl)pyridine

C16H23N — CID 134857722

IUPAC2-(4-prop-2-enyloct-1-en-4-yl)pyridine
SMILESC=CCC(CC=C)(CCCC)c1ccccn1
InChIInChI=1S/C16H23N/c1-4-7-13-16(11-5-2,12-6-3)15-10-8-9-14-17-15/h5-6,8-10,14H,2-4,7,11-13H2,1H3
InChIKeyRGOUVVINEHSXQR-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.66
Rot. Bonds8

About 2-(4-prop-2-enyloct-1-en-4-yl)pyridine

2-(4-prop-2-enyloct-1-en-4-yl)pyridine (PubChem CID 134857722) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(4-prop-2-enyloct-1-en-4-yl)pyridine.

Molecular Properties

Compound Name2-(4-prop-2-enyloct-1-en-4-yl)pyridine
PubChem CID134857722
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(4-prop-2-enyloct-1-en-4-yl)pyridine
SMILESC=CCC(CC=C)(CCCC)c1ccccn1
InChIInChI=1S/C16H23N/c1-4-7-13-16(11-5-2,12-6-3)15-10-8-9-14-17-15/h5-6,8-10,14H,2-4,7,11-13H2,1H3
InChIKeyRGOUVVINEHSXQR-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1,1-bis(methylsulfanyl)but-3-enyl]pyridine
CID 23584107
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2-(1,1,1-trifluoro-2-propoxypent-4-en-2-yl)pyridine
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6-pyridin-2-ylundecan-6-ol
CID 21415651
2-(4-benzylheptan-4-yl)pyridine
CID 122207930
3-ethyl-3-pyridin-2-ylpentan-1-amine
CID 83818225
2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine
CID 146396869
4-propylhept-1-en-4-ylbenzene
CID 123221616
3-pyridin-2-ylpent-1-en-3-ol
CID 146396934
prop-1-ene;bis(pyridin-2-amine)
CID 19911264
2-methyl-3-pyridin-2-yldecan-3-ol
CID 21415641
hexadecyl(trimethyl)azanium;2-prop-2-enylpyridine;chloride
CID 174935769

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enyloct-1-en-4-yl)pyridine?
The IUPAC name of 2-(4-prop-2-enyloct-1-en-4-yl)pyridine (CID 134857722) is 2-(4-prop-2-enyloct-1-en-4-yl)pyridine.
What is the SMILES notation for 2-(4-prop-2-enyloct-1-en-4-yl)pyridine?
The canonical SMILES for 2-(4-prop-2-enyloct-1-en-4-yl)pyridine is C=CCC(CC=C)(CCCC)c1ccccn1.
What is the InChIKey of 2-(4-prop-2-enyloct-1-en-4-yl)pyridine?
The InChIKey is RGOUVVINEHSXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-7-13-16(11-5-2,12-6-3)15-10-8-9-14-17-15/h5-6,8-10,14H,2-4,7,11-13H2,1H3.
What are the key properties of 2-(4-prop-2-enyloct-1-en-4-yl)pyridine?
2-(4-prop-2-enyloct-1-en-4-yl)pyridine has a molecular weight of 229.37 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enyloct-1-en-4-yl)pyridine is sourced from PubChem (CID 134857722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).