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

C18H35N — CID 20872190

IUPAC2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C18H35N/c1-9-10-11-14-12-13-15(17(2,3)4)16(19(14)8)18(5,6)7/h14H,9-13H2,1-8H3
InChIKeyOSYPSPCAGXRUBW-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.62
Rot. Bonds3

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

2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 20872190) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID20872190
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C
InChIInChI=1S/C18H35N/c1-9-10-11-14-12-13-15(17(2,3)4)16(19(14)8)18(5,6)7/h14H,9-13H2,1-8H3
InChIKeyOSYPSPCAGXRUBW-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine (CID 20872190) is 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine is CCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1C.
What is the InChIKey of 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is OSYPSPCAGXRUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-9-10-11-14-12-13-15(17(2,3)4)16(19(14)8)18(5,6)7/h14H,9-13H2,1-8H3.
What are the key properties of 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 265.48 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 20872190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).