1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine

C17H33N — CID 59343283

IUPAC1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1C=CCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C17H33N/c1-15(2,3)13-11-10-12-14(16(4,5)6)18(13)17(7,8)9/h10-11,13-14H,12H2,1-9H3
InChIKeyBSEXJTPQYGLZMD-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.88
Rot. Bonds

About 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine

1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine (PubChem CID 59343283) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine
PubChem CID59343283
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1C=CCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C17H33N/c1-15(2,3)13-11-10-12-14(16(4,5)6)18(13)17(7,8)9/h10-11,13-14H,12H2,1-9H3
InChIKeyBSEXJTPQYGLZMD-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
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 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine (CID 59343283) is 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine is CC(C)(C)C1C=CCC(C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine?
The InChIKey is BSEXJTPQYGLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-15(2,3)13-11-10-12-14(16(4,5)6)18(13)17(7,8)9/h10-11,13-14H,12H2,1-9H3.
What are the key properties of 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine?
1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine has a molecular weight of 251.46 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-tritert-butyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 59343283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).