4-tert-butyl-1,2-dimethyl-2H-pyridine

C11H19N — CID 161108135

IUPAC4-tert-butyl-1,2-dimethyl-2H-pyridine
SMILESCC1C=C(C(C)(C)C)C=CN1C
InChIInChI=1S/C11H19N/c1-9-8-10(11(2,3)4)6-7-12(9)5/h6-9H,1-5H3
InChIKeySJUFUVORVVQRNH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.81
Rot. Bonds

About 4-tert-butyl-1,2-dimethyl-2H-pyridine

4-tert-butyl-1,2-dimethyl-2H-pyridine (PubChem CID 161108135) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1,2-dimethyl-2H-pyridine
PubChem CID161108135
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-tert-butyl-1,2-dimethyl-2H-pyridine
SMILESCC1C=C(C(C)(C)C)C=CN1C
InChIInChI=1S/C11H19N/c1-9-8-10(11(2,3)4)6-7-12(9)5/h6-9H,1-5H3
InChIKeySJUFUVORVVQRNH-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dimethyl-2H-pyridine?
The IUPAC name of 4-tert-butyl-1,2-dimethyl-2H-pyridine (CID 161108135) is 4-tert-butyl-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1,2-dimethyl-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1,2-dimethyl-2H-pyridine is CC1C=C(C(C)(C)C)C=CN1C.
What is the InChIKey of 4-tert-butyl-1,2-dimethyl-2H-pyridine?
The InChIKey is SJUFUVORVVQRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-8-10(11(2,3)4)6-7-12(9)5/h6-9H,1-5H3.
What are the key properties of 4-tert-butyl-1,2-dimethyl-2H-pyridine?
4-tert-butyl-1,2-dimethyl-2H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 161108135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).