2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine

C22H39N — CID 135173350

IUPAC2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine
SMILESCC(CC(C)(C)C(C)C)c1cccc(C(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C22H39N/c1-16(2)21(7,8)14-17(3)18-12-11-13-19(23-18)22(9,10)15-20(4,5)6/h11-13,16-17H,14-15H2,1-10H3
InChIKeyHBNHNQNVGBOJFN-UHFFFAOYSA-N
MW317.56 g/mol
LogP6.97
Rot. Bonds6

About 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine

2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine (PubChem CID 135173350) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine
PubChem CID135173350
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine
SMILESCC(CC(C)(C)C(C)C)c1cccc(C(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C22H39N/c1-16(2)21(7,8)14-17(3)18-12-11-13-19(23-18)22(9,10)15-20(4,5)6/h11-13,16-17H,14-15H2,1-10H3
InChIKeyHBNHNQNVGBOJFN-UHFFFAOYSA-N
XLogP6.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine?
The IUPAC name of 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine (CID 135173350) is 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine.
What is the SMILES notation for 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine?
The canonical SMILES for 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine is CC(CC(C)(C)C(C)C)c1cccc(C(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine?
The InChIKey is HBNHNQNVGBOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-16(2)21(7,8)14-17(3)18-12-11-13-19(23-18)22(9,10)15-20(4,5)6/h11-13,16-17H,14-15H2,1-10H3.
What are the key properties of 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine?
2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine has a molecular weight of 317.56 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine is sourced from PubChem (CID 135173350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).