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

C13H21N — CID 126590839

IUPAC3-methyl-5-(3-methylhexan-3-yl)pyridine
SMILESCCCC(C)(CC)c1cncc(C)c1
InChIInChI=1S/C13H21N/c1-5-7-13(4,6-2)12-8-11(3)9-14-10-12/h8-10H,5-7H2,1-4H3
InChIKeyVZXQCBPTXWWLTC-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.86
Rot. Bonds4

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

3-methyl-5-(3-methylhexan-3-yl)pyridine (PubChem CID 126590839) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-methyl-5-(3-methylhexan-3-yl)pyridine.

Molecular Properties

Compound Name3-methyl-5-(3-methylhexan-3-yl)pyridine
PubChem CID126590839
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-methyl-5-(3-methylhexan-3-yl)pyridine
SMILESCCCC(C)(CC)c1cncc(C)c1
InChIInChI=1S/C13H21N/c1-5-7-13(4,6-2)12-8-11(3)9-14-10-12/h8-10H,5-7H2,1-4H3
InChIKeyVZXQCBPTXWWLTC-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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Related Compounds

4-(5-methyl-3-pyridinyl)heptan-4-ol
CID 114866004
5-(3-methylnonan-3-yl)pyridin-3-amine
CID 137436424
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
4-amino-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115375569
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378447
1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115373723
2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 102794623
5-methyl-2-(3-methylhexan-3-yl)pyridine
CID 170075857
3-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 134423592
1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297034
1-methoxy-2-(5-methyl-3-pyridinyl)propan-2-amine
CID 115373850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylhexan-3-yl)pyridine?
The IUPAC name of 3-methyl-5-(3-methylhexan-3-yl)pyridine (CID 126590839) is 3-methyl-5-(3-methylhexan-3-yl)pyridine.
What is the SMILES notation for 3-methyl-5-(3-methylhexan-3-yl)pyridine?
The canonical SMILES for 3-methyl-5-(3-methylhexan-3-yl)pyridine is CCCC(C)(CC)c1cncc(C)c1.
What is the InChIKey of 3-methyl-5-(3-methylhexan-3-yl)pyridine?
The InChIKey is VZXQCBPTXWWLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-7-13(4,6-2)12-8-11(3)9-14-10-12/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methyl-5-(3-methylhexan-3-yl)pyridine?
3-methyl-5-(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 3-methyl-5-(3-methylhexan-3-yl)pyridine is sourced from PubChem (CID 126590839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).