5,6-ditert-butyl-1,2,3,4-tetrahydropyridine

C13H25N — CID 58233704

IUPAC5,6-ditert-butyl-1,2,3,4-tetrahydropyridine
SMILESCC(C)(C)C1=C(C(C)(C)C)NCCC1
InChIInChI=1S/C13H25N/c1-12(2,3)10-8-7-9-14-11(10)13(4,5)6/h14H,7-9H2,1-6H3
InChIKeyAMKJFPAPRXGINN-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.72
Rot. Bonds

About 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine

5,6-ditert-butyl-1,2,3,4-tetrahydropyridine (PubChem CID 58233704) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5,6-ditert-butyl-1,2,3,4-tetrahydropyridine
PubChem CID58233704
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5,6-ditert-butyl-1,2,3,4-tetrahydropyridine
SMILESCC(C)(C)C1=C(C(C)(C)C)NCCC1
InChIInChI=1S/C13H25N/c1-12(2,3)10-8-7-9-14-11(10)13(4,5)6/h14H,7-9H2,1-6H3
InChIKeyAMKJFPAPRXGINN-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine (CID 58233704) is 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine is CC(C)(C)C1=C(C(C)(C)C)NCCC1.
What is the InChIKey of 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
The InChIKey is AMKJFPAPRXGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-12(2,3)10-8-7-9-14-11(10)13(4,5)6/h14H,7-9H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
5,6-ditert-butyl-1,2,3,4-tetrahydropyridine has a molecular weight of 195.35 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 58233704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).