3,5-ditert-butyl-3-methyl-4H-pyridine

C14H25N — CID 123464050

IUPAC3,5-ditert-butyl-3-methyl-4H-pyridine
SMILESCC(C)(C)C1=CN=CC(C)(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-12(2,3)11-8-14(7,10-15-9-11)13(4,5)6/h9-10H,8H2,1-7H3
InChIKeyMXSPGVYIZDIKDS-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.44
Rot. Bonds

About 3,5-ditert-butyl-3-methyl-4H-pyridine

3,5-ditert-butyl-3-methyl-4H-pyridine (PubChem CID 123464050) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3,5-ditert-butyl-3-methyl-4H-pyridine.

Molecular Properties

Compound Name3,5-ditert-butyl-3-methyl-4H-pyridine
PubChem CID123464050
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3,5-ditert-butyl-3-methyl-4H-pyridine
SMILESCC(C)(C)C1=CN=CC(C)(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-12(2,3)11-8-14(7,10-15-9-11)13(4,5)6/h9-10H,8H2,1-7H3
InChIKeyMXSPGVYIZDIKDS-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-3-methyl-4H-pyridine?
The IUPAC name of 3,5-ditert-butyl-3-methyl-4H-pyridine (CID 123464050) is 3,5-ditert-butyl-3-methyl-4H-pyridine.
What is the SMILES notation for 3,5-ditert-butyl-3-methyl-4H-pyridine?
The canonical SMILES for 3,5-ditert-butyl-3-methyl-4H-pyridine is CC(C)(C)C1=CN=CC(C)(C(C)(C)C)C1.
What is the InChIKey of 3,5-ditert-butyl-3-methyl-4H-pyridine?
The InChIKey is MXSPGVYIZDIKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2,3)11-8-14(7,10-15-9-11)13(4,5)6/h9-10H,8H2,1-7H3.
What are the key properties of 3,5-ditert-butyl-3-methyl-4H-pyridine?
3,5-ditert-butyl-3-methyl-4H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-3-methyl-4H-pyridine is sourced from PubChem (CID 123464050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).