1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine

C11H15N — CID 126728384

IUPAC1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine
SMILESCC#CC1=CC(C)N(C)C(C)=C1
InChIInChI=1S/C11H15N/c1-5-6-11-7-9(2)12(4)10(3)8-11/h7-9H,1-4H3
InChIKeyFKMCUAZQUCYSDL-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.17
Rot. Bonds

About 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine

1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine (PubChem CID 126728384) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine
PubChem CID126728384
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine
SMILESCC#CC1=CC(C)N(C)C(C)=C1
InChIInChI=1S/C11H15N/c1-5-6-11-7-9(2)12(4)10(3)8-11/h7-9H,1-4H3
InChIKeyFKMCUAZQUCYSDL-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine?
The IUPAC name of 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine (CID 126728384) is 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine.
What is the SMILES notation for 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine?
The canonical SMILES for 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine is CC#CC1=CC(C)N(C)C(C)=C1.
What is the InChIKey of 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine?
The InChIKey is FKMCUAZQUCYSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-5-6-11-7-9(2)12(4)10(3)8-11/h7-9H,1-4H3.
What are the key properties of 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine?
1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine has a molecular weight of 161.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4-prop-1-ynyl-2H-pyridine is sourced from PubChem (CID 126728384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).