2,2-ditert-butyl-1-methylpyridine

C14H25N — CID 67573139

IUPAC2,2-ditert-butyl-1-methylpyridine
SMILESCN1C=CC=CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-12(2,3)14(13(4,5)6)10-8-9-11-15(14)7/h8-11H,1-7H3
InChIKeyGVQVIXDAYPYQBC-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.83
Rot. Bonds

About 2,2-ditert-butyl-1-methylpyridine

2,2-ditert-butyl-1-methylpyridine (PubChem CID 67573139) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,2-ditert-butyl-1-methylpyridine.

Molecular Properties

Compound Name2,2-ditert-butyl-1-methylpyridine
PubChem CID67573139
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,2-ditert-butyl-1-methylpyridine
SMILESCN1C=CC=CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-12(2,3)14(13(4,5)6)10-8-9-11-15(14)7/h8-11H,1-7H3
InChIKeyGVQVIXDAYPYQBC-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 2,2-ditert-butyl-1-methylpyridine?
The IUPAC name of 2,2-ditert-butyl-1-methylpyridine (CID 67573139) is 2,2-ditert-butyl-1-methylpyridine.
What is the SMILES notation for 2,2-ditert-butyl-1-methylpyridine?
The canonical SMILES for 2,2-ditert-butyl-1-methylpyridine is CN1C=CC=CC1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-ditert-butyl-1-methylpyridine?
The InChIKey is GVQVIXDAYPYQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2,3)14(13(4,5)6)10-8-9-11-15(14)7/h8-11H,1-7H3.
What are the key properties of 2,2-ditert-butyl-1-methylpyridine?
2,2-ditert-butyl-1-methylpyridine 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 2,2-ditert-butyl-1-methylpyridine is sourced from PubChem (CID 67573139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).