2,3-ditert-butyl-1,6-dimethyl-4H-pyridine

C15H27N — CID 20871967

IUPAC2,3-ditert-butyl-1,6-dimethyl-4H-pyridine
SMILESCC1=CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C15H27N/c1-11-9-10-12(14(2,3)4)13(16(11)8)15(5,6)7/h9H,10H2,1-8H3
InChIKeyVYKMAQARHWQZLH-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.57
Rot. Bonds

About 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine

2,3-ditert-butyl-1,6-dimethyl-4H-pyridine (PubChem CID 20871967) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-1,6-dimethyl-4H-pyridine
PubChem CID20871967
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,3-ditert-butyl-1,6-dimethyl-4H-pyridine
SMILESCC1=CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C15H27N/c1-11-9-10-12(14(2,3)4)13(16(11)8)15(5,6)7/h9H,10H2,1-8H3
InChIKeyVYKMAQARHWQZLH-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine?
The IUPAC name of 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine (CID 20871967) is 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine.
What is the SMILES notation for 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine?
The canonical SMILES for 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine is CC1=CCC(C(C)(C)C)=C(C(C)(C)C)N1C.
What is the InChIKey of 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine?
The InChIKey is VYKMAQARHWQZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11-9-10-12(14(2,3)4)13(16(11)8)15(5,6)7/h9H,10H2,1-8H3.
What are the key properties of 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine?
2,3-ditert-butyl-1,6-dimethyl-4H-pyridine has a molecular weight of 221.39 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1,6-dimethyl-4H-pyridine is sourced from PubChem (CID 20871967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).