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

C12H19N — CID 20738069

IUPAC2-methyl-3,6-di(propan-2-yl)pyridine
SMILESCc1nc(C(C)C)ccc1C(C)C
InChIInChI=1S/C12H19N/c1-8(2)11-6-7-12(9(3)4)13-10(11)5/h6-9H,1-5H3
InChIKeyJJKYLYUPPPNZLP-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.64
Rot. Bonds2

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

2-methyl-3,6-di(propan-2-yl)pyridine (PubChem CID 20738069) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-methyl-3,6-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name2-methyl-3,6-di(propan-2-yl)pyridine
PubChem CID20738069
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-methyl-3,6-di(propan-2-yl)pyridine
SMILESCc1nc(C(C)C)ccc1C(C)C
InChIInChI=1S/C12H19N/c1-8(2)11-6-7-12(9(3)4)13-10(11)5/h6-9H,1-5H3
InChIKeyJJKYLYUPPPNZLP-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6-di(propan-2-yl)pyridine?
The IUPAC name of 2-methyl-3,6-di(propan-2-yl)pyridine (CID 20738069) is 2-methyl-3,6-di(propan-2-yl)pyridine.
What is the SMILES notation for 2-methyl-3,6-di(propan-2-yl)pyridine?
The canonical SMILES for 2-methyl-3,6-di(propan-2-yl)pyridine is Cc1nc(C(C)C)ccc1C(C)C.
What is the InChIKey of 2-methyl-3,6-di(propan-2-yl)pyridine?
The InChIKey is JJKYLYUPPPNZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8(2)11-6-7-12(9(3)4)13-10(11)5/h6-9H,1-5H3.
What are the key properties of 2-methyl-3,6-di(propan-2-yl)pyridine?
2-methyl-3,6-di(propan-2-yl)pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-di(propan-2-yl)pyridine is sourced from PubChem (CID 20738069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).