2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine

C11H15N — CID 130317749

IUPAC2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine
SMILESCC/C(C)=C/c1cccc(C)n1
InChIInChI=1S/C11H15N/c1-4-9(2)8-11-7-5-6-10(3)12-11/h5-8H,4H2,1-3H3/b9-8+
InChIKeyZTCPXJCBXMDXBH-CMDGGOBGSA-N
MW161.25 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine

2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine (PubChem CID 130317749) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine
PubChem CID130317749
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine
SMILESCC/C(C)=C/c1cccc(C)n1
InChIInChI=1S/C11H15N/c1-4-9(2)8-11-7-5-6-10(3)12-11/h5-8H,4H2,1-3H3/b9-8+
InChIKeyZTCPXJCBXMDXBH-CMDGGOBGSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Lutidine
CID 7937
2-Methylpyridine
CID 7975
5-Ethyl-2-methylpyridine
CID 7728
2-Propylpyridine
CID 69320
2,4,6-Trimethylpyridine
CID 7953
2-Pentylpyridine
CID 16800
2-Ethylpyridine
CID 7523
2-Isobutylpyridine
CID 61385
2,3-Lutidine
CID 11420
2-Butylpyridine
CID 78750
Sib 1893
CID 5311432
Mpep
CID 3025961

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine?
The IUPAC name of 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine (CID 130317749) is 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine.
What is the SMILES notation for 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine?
The canonical SMILES for 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine is CC/C(C)=C/c1cccc(C)n1.
What is the InChIKey of 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine?
The InChIKey is ZTCPXJCBXMDXBH-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H15N/c1-4-9(2)8-11-7-5-6-10(3)12-11/h5-8H,4H2,1-3H3/b9-8+.
What are the key properties of 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine?
2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine has a molecular weight of 161.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine is sourced from PubChem (CID 130317749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).