1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine

C13H21N — CID 20701235

IUPAC1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine
SMILESC=C1C=CC(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C13H21N/c1-9(2)12-8-7-11(5)14(6)13(12)10(3)4/h7-10H,5H2,1-4,6H3
InChIKeyJSHYNOOVEYTKHK-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.57
Rot. Bonds2

About 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine

1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine (PubChem CID 20701235) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine
PubChem CID20701235
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine
SMILESC=C1C=CC(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C13H21N/c1-9(2)12-8-7-11(5)14(6)13(12)10(3)4/h7-10H,5H2,1-4,6H3
InChIKeyJSHYNOOVEYTKHK-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
The IUPAC name of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine (CID 20701235) is 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine.
What is the SMILES notation for 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
The canonical SMILES for 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine is C=C1C=CC(C(C)C)=C(C(C)C)N1C.
What is the InChIKey of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
The InChIKey is JSHYNOOVEYTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)12-8-7-11(5)14(6)13(12)10(3)4/h7-10H,5H2,1-4,6H3.
What are the key properties of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine is sourced from PubChem (CID 20701235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).