2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine

C13H21N — CID 126513948

IUPAC2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine
SMILESC/C=C/C1=CC=CC(C(C)(C)C)N1C
InChIInChI=1S/C13H21N/c1-6-8-11-9-7-10-12(14(11)5)13(2,3)4/h6-10,12H,1-5H3/b8-6+
InChIKeyYBLPBHXOBVSGGR-SOFGYWHQSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds1

About 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine

2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine (PubChem CID 126513948) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine
PubChem CID126513948
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine
SMILESC/C=C/C1=CC=CC(C(C)(C)C)N1C
InChIInChI=1S/C13H21N/c1-6-8-11-9-7-10-12(14(11)5)13(2,3)4/h6-10,12H,1-5H3/b8-6+
InChIKeyYBLPBHXOBVSGGR-SOFGYWHQSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine?
The IUPAC name of 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine (CID 126513948) is 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine.
What is the SMILES notation for 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine?
The canonical SMILES for 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine is C/C=C/C1=CC=CC(C(C)(C)C)N1C.
What is the InChIKey of 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine?
The InChIKey is YBLPBHXOBVSGGR-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H21N/c1-6-8-11-9-7-10-12(14(11)5)13(2,3)4/h6-10,12H,1-5H3/b8-6+.
What are the key properties of 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine?
2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-6-[(E)-prop-1-enyl]-2H-pyridine is sourced from PubChem (CID 126513948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).