3,4-ditert-butyl-1-propyl-2H-pyridine

C16H29N — CID 23552360

IUPAC3,4-ditert-butyl-1-propyl-2H-pyridine
SMILESCCCN1C=CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C16H29N/c1-8-10-17-11-9-13(15(2,3)4)14(12-17)16(5,6)7/h9,11H,8,10,12H2,1-7H3
InChIKeyGOSYUHODUPFTFQ-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.61
Rot. Bonds2

About 3,4-ditert-butyl-1-propyl-2H-pyridine

3,4-ditert-butyl-1-propyl-2H-pyridine (PubChem CID 23552360) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 3,4-ditert-butyl-1-propyl-2H-pyridine.

Molecular Properties

Compound Name3,4-ditert-butyl-1-propyl-2H-pyridine
PubChem CID23552360
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name3,4-ditert-butyl-1-propyl-2H-pyridine
SMILESCCCN1C=CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C16H29N/c1-8-10-17-11-9-13(15(2,3)4)14(12-17)16(5,6)7/h9,11H,8,10,12H2,1-7H3
InChIKeyGOSYUHODUPFTFQ-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1-propyl-2H-pyridine?
The IUPAC name of 3,4-ditert-butyl-1-propyl-2H-pyridine (CID 23552360) is 3,4-ditert-butyl-1-propyl-2H-pyridine.
What is the SMILES notation for 3,4-ditert-butyl-1-propyl-2H-pyridine?
The canonical SMILES for 3,4-ditert-butyl-1-propyl-2H-pyridine is CCCN1C=CC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 3,4-ditert-butyl-1-propyl-2H-pyridine?
The InChIKey is GOSYUHODUPFTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-8-10-17-11-9-13(15(2,3)4)14(12-17)16(5,6)7/h9,11H,8,10,12H2,1-7H3.
What are the key properties of 3,4-ditert-butyl-1-propyl-2H-pyridine?
3,4-ditert-butyl-1-propyl-2H-pyridine has a molecular weight of 235.41 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1-propyl-2H-pyridine is sourced from PubChem (CID 23552360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).