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

C17H33N — CID 23552355

IUPAC5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine
SMILESCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C17H33N/c1-9-10-13-11-12-14(16(2,3)4)15(18(13)8)17(5,6)7/h13H,9-12H2,1-8H3
InChIKeyJYWOKUQIHTZOGK-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.23
Rot. Bonds2

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

5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine (PubChem CID 23552355) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine
PubChem CID23552355
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine
SMILESCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C17H33N/c1-9-10-13-11-12-14(16(2,3)4)15(18(13)8)17(5,6)7/h13H,9-12H2,1-8H3
InChIKeyJYWOKUQIHTZOGK-UHFFFAOYSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.23
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-2-propyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine (CID 23552355) is 5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine is CCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C.
What is the InChIKey of 5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine?
The InChIKey is JYWOKUQIHTZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-9-10-13-11-12-14(16(2,3)4)15(18(13)8)17(5,6)7/h13H,9-12H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine?
5,6-ditert-butyl-1-methyl-2-propyl-3,4-dihydro-2H-pyridine has a molecular weight of 251.46 g/mol, XLogP of 5.23, 2 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-2-propyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 23552355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).