5-methyl-2-(3-methylhexan-3-yl)pyridine

C13H21N — CID 170075857

IUPAC5-methyl-2-(3-methylhexan-3-yl)pyridine
SMILESCCCC(C)(CC)c1ccc(C)cn1
InChIInChI=1S/C13H21N/c1-5-9-13(4,6-2)12-8-7-11(3)10-14-12/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHYVHVEKVXNGLHD-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.86
Rot. Bonds4

About 5-methyl-2-(3-methylhexan-3-yl)pyridine

5-methyl-2-(3-methylhexan-3-yl)pyridine (PubChem CID 170075857) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-methyl-2-(3-methylhexan-3-yl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(3-methylhexan-3-yl)pyridine
PubChem CID170075857
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-methyl-2-(3-methylhexan-3-yl)pyridine
SMILESCCCC(C)(CC)c1ccc(C)cn1
InChIInChI=1S/C13H21N/c1-5-9-13(4,6-2)12-8-7-11(3)10-14-12/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHYVHVEKVXNGLHD-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.86
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-methylhexan-3-yl)pyridine?
The IUPAC name of 5-methyl-2-(3-methylhexan-3-yl)pyridine (CID 170075857) is 5-methyl-2-(3-methylhexan-3-yl)pyridine.
What is the SMILES notation for 5-methyl-2-(3-methylhexan-3-yl)pyridine?
The canonical SMILES for 5-methyl-2-(3-methylhexan-3-yl)pyridine is CCCC(C)(CC)c1ccc(C)cn1.
What is the InChIKey of 5-methyl-2-(3-methylhexan-3-yl)pyridine?
The InChIKey is HYVHVEKVXNGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-9-13(4,6-2)12-8-7-11(3)10-14-12/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 5-methyl-2-(3-methylhexan-3-yl)pyridine?
5-methyl-2-(3-methylhexan-3-yl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylhexan-3-yl)pyridine is sourced from PubChem (CID 170075857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).