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

C14H27N — CID 23592144

IUPAC5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C14H27N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h10,15H,8-9H2,1-7H3
InChIKeyKWJXLWMKCLOZAL-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.10
Rot. Bonds

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

5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 23592144) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine
PubChem CID23592144
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C14H27N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h10,15H,8-9H2,1-7H3
InChIKeyKWJXLWMKCLOZAL-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.10
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-2-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine (CID 23592144) is 5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine is CC1CCC(C(C)(C)C)=C(C(C)(C)C)N1.
What is the InChIKey of 5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is KWJXLWMKCLOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10-8-9-11(13(2,3)4)12(15-10)14(5,6)7/h10,15H,8-9H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine?
5,6-ditert-butyl-2-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 209.38 g/mol, XLogP of 4.10, 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-2-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 23592144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).