5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine

C22H25N — CID 157252538

IUPAC5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine
SMILESCc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C22H25N/c1-16-6-9-18(23-15-16)10-7-17-8-11-19-20(14-17)22(4,5)13-12-21(19,2)3/h6,8-9,11,14-15H,12-13H2,1-5H3
InChIKeyOEIUSDOKDUAJKT-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.14
Rot. Bonds

About 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine

5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine (PubChem CID 157252538) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine
PubChem CID157252538
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine
SMILESCc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C22H25N/c1-16-6-9-18(23-15-16)10-7-17-8-11-19-20(14-17)22(4,5)13-12-21(19,2)3/h6,8-9,11,14-15H,12-13H2,1-5H3
InChIKeyOEIUSDOKDUAJKT-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine?
The IUPAC name of 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine (CID 157252538) is 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine.
What is the SMILES notation for 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine?
The canonical SMILES for 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine is Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.
What is the InChIKey of 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine?
The InChIKey is OEIUSDOKDUAJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-16-6-9-18(23-15-16)10-7-17-8-11-19-20(14-17)22(4,5)13-12-21(19,2)3/h6,8-9,11,14-15H,12-13H2,1-5H3.
What are the key properties of 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine?
5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine has a molecular weight of 303.45 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine is sourced from PubChem (CID 157252538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).