5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine

C14H27N — CID 58358301

IUPAC5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCN1CCCC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C14H27N/c1-13(2,3)11-9-8-10-15(7)12(11)14(4,5)6/h8-10H2,1-7H3
InChIKeyQMYAEDXZXMXHQK-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.06
Rot. Bonds

About 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine

5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 58358301) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID58358301
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCN1CCCC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C14H27N/c1-13(2,3)11-9-8-10-15(7)12(11)14(4,5)6/h8-10H2,1-7H3
InChIKeyQMYAEDXZXMXHQK-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine (CID 58358301) is 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine is CN1CCCC(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is QMYAEDXZXMXHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-13(2,3)11-9-8-10-15(7)12(11)14(4,5)6/h8-10H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 209.38 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 58358301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).