2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine

C16H27N — CID 58164622

IUPAC2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine
SMILESCc1nc(C(C)C)c(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C16H27N/c1-9(2)14-12(7)15(10(3)4)16(11(5)6)17-13(14)8/h9-11H,1-8H3
InChIKeyOYFUEQXAYAYDOA-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.07
Rot. Bonds3

About 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine

2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine (PubChem CID 58164622) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine.

Molecular Properties

Compound Name2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine
PubChem CID58164622
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine
SMILESCc1nc(C(C)C)c(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C16H27N/c1-9(2)14-12(7)15(10(3)4)16(11(5)6)17-13(14)8/h9-11H,1-8H3
InChIKeyOYFUEQXAYAYDOA-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine?
The IUPAC name of 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine (CID 58164622) is 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine.
What is the SMILES notation for 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine?
The canonical SMILES for 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine is Cc1nc(C(C)C)c(C(C)C)c(C)c1C(C)C.
What is the InChIKey of 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine?
The InChIKey is OYFUEQXAYAYDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-9(2)14-12(7)15(10(3)4)16(11(5)6)17-13(14)8/h9-11H,1-8H3.
What are the key properties of 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine?
2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine has a molecular weight of 233.40 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine is sourced from PubChem (CID 58164622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).