2-but-3-enyl-2,6-dimethyl-1H-pyridine

C11H17N — CID 23466599

IUPAC2-but-3-enyl-2,6-dimethyl-1H-pyridine
SMILESC=CCCC1(C)C=CC=C(C)N1
InChIInChI=1S/C11H17N/c1-4-5-8-11(3)9-6-7-10(2)12-11/h4,6-7,9,12H,1,5,8H2,2-3H3
InChIKeySDEUDTSIPMYIFG-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.77
Rot. Bonds3

About 2-but-3-enyl-2,6-dimethyl-1H-pyridine

2-but-3-enyl-2,6-dimethyl-1H-pyridine (PubChem CID 23466599) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-but-3-enyl-2,6-dimethyl-1H-pyridine.

Molecular Properties

Compound Name2-but-3-enyl-2,6-dimethyl-1H-pyridine
PubChem CID23466599
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-but-3-enyl-2,6-dimethyl-1H-pyridine
SMILESC=CCCC1(C)C=CC=C(C)N1
InChIInChI=1S/C11H17N/c1-4-5-8-11(3)9-6-7-10(2)12-11/h4,6-7,9,12H,1,5,8H2,2-3H3
InChIKeySDEUDTSIPMYIFG-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-2,6-dimethyl-1H-pyridine?
The IUPAC name of 2-but-3-enyl-2,6-dimethyl-1H-pyridine (CID 23466599) is 2-but-3-enyl-2,6-dimethyl-1H-pyridine.
What is the SMILES notation for 2-but-3-enyl-2,6-dimethyl-1H-pyridine?
The canonical SMILES for 2-but-3-enyl-2,6-dimethyl-1H-pyridine is C=CCCC1(C)C=CC=C(C)N1.
What is the InChIKey of 2-but-3-enyl-2,6-dimethyl-1H-pyridine?
The InChIKey is SDEUDTSIPMYIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-8-11(3)9-6-7-10(2)12-11/h4,6-7,9,12H,1,5,8H2,2-3H3.
What are the key properties of 2-but-3-enyl-2,6-dimethyl-1H-pyridine?
2-but-3-enyl-2,6-dimethyl-1H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2,6-dimethyl-1H-pyridine is sourced from PubChem (CID 23466599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).