5-methyl-2-(3-methylbutyl)pyridine;hydrochloride

C11H18ClN — CID 172742279

IUPAC5-methyl-2-(3-methylbutyl)pyridine;hydrochloride
SMILESCc1ccc(CCC(C)C)nc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(2)4-6-11-7-5-10(3)8-12-11;/h5,7-9H,4,6H2,1-3H3;1H
InChIKeyJGLAGZYWGYVMKQ-UHFFFAOYSA-N
MW199.73 g/mol
LogP3.40
Rot. Bonds3

About 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride

5-methyl-2-(3-methylbutyl)pyridine;hydrochloride (PubChem CID 172742279) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-(3-methylbutyl)pyridine;hydrochloride
PubChem CID172742279
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC Name5-methyl-2-(3-methylbutyl)pyridine;hydrochloride
SMILESCc1ccc(CCC(C)C)nc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(2)4-6-11-7-5-10(3)8-12-11;/h5,7-9H,4,6H2,1-3H3;1H
InChIKeyJGLAGZYWGYVMKQ-UHFFFAOYSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride?
The IUPAC name of 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride (CID 172742279) is 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride.
What is the SMILES notation for 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride?
The canonical SMILES for 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride is Cc1ccc(CCC(C)C)nc1.Cl.
What is the InChIKey of 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride?
The InChIKey is JGLAGZYWGYVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-9(2)4-6-11-7-5-10(3)8-12-11;/h5,7-9H,4,6H2,1-3H3;1H.
What are the key properties of 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride?
5-methyl-2-(3-methylbutyl)pyridine;hydrochloride has a molecular weight of 199.73 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbutyl)pyridine;hydrochloride is sourced from PubChem (CID 172742279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).