3,4-ditert-butyl-1-methyl-2H-pyridine

C14H25N — CID 23402542

IUPAC3,4-ditert-butyl-1-methyl-2H-pyridine
SMILESCN1C=CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-13(2,3)11-8-9-15(7)10-12(11)14(4,5)6/h8-9H,10H2,1-7H3
InChIKeyUOMGQMMLACDTMI-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.83
Rot. Bonds

About 3,4-ditert-butyl-1-methyl-2H-pyridine

3,4-ditert-butyl-1-methyl-2H-pyridine (PubChem CID 23402542) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3,4-ditert-butyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3,4-ditert-butyl-1-methyl-2H-pyridine
PubChem CID23402542
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3,4-ditert-butyl-1-methyl-2H-pyridine
SMILESCN1C=CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-13(2,3)11-8-9-15(7)10-12(11)14(4,5)6/h8-9H,10H2,1-7H3
InChIKeyUOMGQMMLACDTMI-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1-methyl-2H-pyridine?
The IUPAC name of 3,4-ditert-butyl-1-methyl-2H-pyridine (CID 23402542) is 3,4-ditert-butyl-1-methyl-2H-pyridine.
What is the SMILES notation for 3,4-ditert-butyl-1-methyl-2H-pyridine?
The canonical SMILES for 3,4-ditert-butyl-1-methyl-2H-pyridine is CN1C=CC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 3,4-ditert-butyl-1-methyl-2H-pyridine?
The InChIKey is UOMGQMMLACDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-13(2,3)11-8-9-15(7)10-12(11)14(4,5)6/h8-9H,10H2,1-7H3.
What are the key properties of 3,4-ditert-butyl-1-methyl-2H-pyridine?
3,4-ditert-butyl-1-methyl-2H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1-methyl-2H-pyridine is sourced from PubChem (CID 23402542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).