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

C14H25N — CID 23540005

IUPAC1,2-ditert-butyl-4-methyl-2H-pyridine
SMILESCC1=CC(C(C)(C)C)N(C(C)(C)C)C=C1
InChIInChI=1S/C14H25N/c1-11-8-9-15(14(5,6)7)12(10-11)13(2,3)4/h8-10,12H,1-7H3
InChIKeySJPJAISAHMHRAW-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.98
Rot. Bonds

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

1,2-ditert-butyl-4-methyl-2H-pyridine (PubChem CID 23540005) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-methyl-2H-pyridine.

Molecular Properties

Compound Name1,2-ditert-butyl-4-methyl-2H-pyridine
PubChem CID23540005
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1,2-ditert-butyl-4-methyl-2H-pyridine
SMILESCC1=CC(C(C)(C)C)N(C(C)(C)C)C=C1
InChIInChI=1S/C14H25N/c1-11-8-9-15(14(5,6)7)12(10-11)13(2,3)4/h8-10,12H,1-7H3
InChIKeySJPJAISAHMHRAW-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-methyl-2H-pyridine?
The IUPAC name of 1,2-ditert-butyl-4-methyl-2H-pyridine (CID 23540005) is 1,2-ditert-butyl-4-methyl-2H-pyridine.
What is the SMILES notation for 1,2-ditert-butyl-4-methyl-2H-pyridine?
The canonical SMILES for 1,2-ditert-butyl-4-methyl-2H-pyridine is CC1=CC(C(C)(C)C)N(C(C)(C)C)C=C1.
What is the InChIKey of 1,2-ditert-butyl-4-methyl-2H-pyridine?
The InChIKey is SJPJAISAHMHRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11-8-9-15(14(5,6)7)12(10-11)13(2,3)4/h8-10,12H,1-7H3.
What are the key properties of 1,2-ditert-butyl-4-methyl-2H-pyridine?
1,2-ditert-butyl-4-methyl-2H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-methyl-2H-pyridine is sourced from PubChem (CID 23540005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).