5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine

C13H19N — CID 166972644

IUPAC5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cc(CC(C)C)c(C)cn1
InChIInChI=1S/C13H19N/c1-9(2)6-12-7-13(10(3)4)14-8-11(12)5/h7-9H,3,6H2,1-2,4-5H3
InChIKeyOMESMWBORBVYSX-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.62
Rot. Bonds3

About 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine

5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine (PubChem CID 166972644) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine
PubChem CID166972644
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cc(CC(C)C)c(C)cn1
InChIInChI=1S/C13H19N/c1-9(2)6-12-7-13(10(3)4)14-8-11(12)5/h7-9H,3,6H2,1-2,4-5H3
InChIKeyOMESMWBORBVYSX-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine?
The IUPAC name of 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine (CID 166972644) is 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine is C=C(C)c1cc(CC(C)C)c(C)cn1.
What is the InChIKey of 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine?
The InChIKey is OMESMWBORBVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)6-12-7-13(10(3)4)14-8-11(12)5/h7-9H,3,6H2,1-2,4-5H3.
What are the key properties of 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine?
5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine has a molecular weight of 189.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpropyl)-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 166972644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).