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

C17H33N — CID 146602932

IUPAC4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine
SMILESCC1C(C(C)(C)C)=C(C(C)(C)C)C(C)N(C)C1C
InChIInChI=1S/C17H33N/c1-11-12(2)18(10)13(3)15(17(7,8)9)14(11)16(4,5)6/h11-13H,1-10H3
InChIKeyWRUFGUKUJNLASO-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.73
Rot. Bonds

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

4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine (PubChem CID 146602932) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine
PubChem CID146602932
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine
SMILESCC1C(C(C)(C)C)=C(C(C)(C)C)C(C)N(C)C1C
InChIInChI=1S/C17H33N/c1-11-12(2)18(10)13(3)15(17(7,8)9)14(11)16(4,5)6/h11-13H,1-10H3
InChIKeyWRUFGUKUJNLASO-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine (CID 146602932) is 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine is CC1C(C(C)(C)C)=C(C(C)(C)C)C(C)N(C)C1C.
What is the InChIKey of 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine?
The InChIKey is WRUFGUKUJNLASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-11-12(2)18(10)13(3)15(17(7,8)9)14(11)16(4,5)6/h11-13H,1-10H3.
What are the key properties of 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine?
4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine has a molecular weight of 251.46 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1,2,3,6-tetramethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146602932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).