3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide

C10H18BrN — CID 174771844

IUPAC3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide
SMILESBr.CC1=CC=CN(CC(C)C)C1
InChIInChI=1S/C10H17N.BrH/c1-9(2)7-11-6-4-5-10(3)8-11;/h4-6,9H,7-8H2,1-3H3;1H
InChIKeyHUMMCSUMIZIHRG-UHFFFAOYSA-N
MW232.16 g/mol
LogP3.00
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide

3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide (PubChem CID 174771844) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide
PubChem CID174771844
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC Name3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide
SMILESBr.CC1=CC=CN(CC(C)C)C1
InChIInChI=1S/C10H17N.BrH/c1-9(2)7-11-6-4-5-10(3)8-11;/h4-6,9H,7-8H2,1-3H3;1H
InChIKeyHUMMCSUMIZIHRG-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide (CID 174771844) is 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide is Br.CC1=CC=CN(CC(C)C)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide?
The InChIKey is HUMMCSUMIZIHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.BrH/c1-9(2)7-11-6-4-5-10(3)8-11;/h4-6,9H,7-8H2,1-3H3;1H.
What are the key properties of 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide?
3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide has a molecular weight of 232.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide is sourced from PubChem (CID 174771844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).