4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine

C16H23N — CID 134293528

IUPAC4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine
SMILESC#CC(CCC)(CCC)c1cc(C)nc(C)c1
InChIInChI=1S/C16H23N/c1-6-9-16(8-3,10-7-2)15-11-13(4)17-14(5)12-15/h3,11-12H,6-7,9-10H2,1-2,4-5H3
InChIKeyJLOSSPVAHAIZOH-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.17
Rot. Bonds5

About 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine

4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine (PubChem CID 134293528) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine
PubChem CID134293528
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine
SMILESC#CC(CCC)(CCC)c1cc(C)nc(C)c1
InChIInChI=1S/C16H23N/c1-6-9-16(8-3,10-7-2)15-11-13(4)17-14(5)12-15/h3,11-12H,6-7,9-10H2,1-2,4-5H3
InChIKeyJLOSSPVAHAIZOH-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Trimethylpyridine
CID 7953
Sib 1893
CID 5311432
Mpep
CID 3025961
2,3,6-Trimethylpyridine
CID 15100
2,6-Di-tert-butylpyridine
CID 68510
2,6-Di-tert-butyl-4-methylpyridine
CID 98898
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
2-Methyl-6-(4-phenylbut-1-ynyl)pyridine
CID 11424570
2-Methyl-6-(4-phenylpent-1-ynyl)pyridine
CID 11736483
2-Phenylethynyl-5,6,7,8-tetrahydro-quinoline
CID 24777940
2-Methyl-6-(5-phenylpent-1-ynyl)pyridine
CID 44416004
2-Methyl-6-(phenylethynyl)pyridine hydrochloride
CID 9794588

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine?
The IUPAC name of 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine (CID 134293528) is 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine.
What is the SMILES notation for 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine?
The canonical SMILES for 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine is C#CC(CCC)(CCC)c1cc(C)nc(C)c1.
What is the InChIKey of 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine?
The InChIKey is JLOSSPVAHAIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-6-9-16(8-3,10-7-2)15-11-13(4)17-14(5)12-15/h3,11-12H,6-7,9-10H2,1-2,4-5H3.
What are the key properties of 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine?
4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine has a molecular weight of 229.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylheptan-4-yl)-2,6-dimethylpyridine is sourced from PubChem (CID 134293528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).