1,5-ditert-butyl-6-propan-2-yl-2H-pyridine

C16H29N — CID 59616752

IUPAC1,5-ditert-butyl-6-propan-2-yl-2H-pyridine
SMILESCC(C)C1=C(C(C)(C)C)C=CCN1C(C)(C)C
InChIInChI=1S/C16H29N/c1-12(2)14-13(15(3,4)5)10-9-11-17(14)16(6,7)8/h9-10,12H,11H2,1-8H3
InChIKeySAOWDXKCGGFSSX-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.61
Rot. Bonds1

About 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine

1,5-ditert-butyl-6-propan-2-yl-2H-pyridine (PubChem CID 59616752) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name1,5-ditert-butyl-6-propan-2-yl-2H-pyridine
PubChem CID59616752
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1,5-ditert-butyl-6-propan-2-yl-2H-pyridine
SMILESCC(C)C1=C(C(C)(C)C)C=CCN1C(C)(C)C
InChIInChI=1S/C16H29N/c1-12(2)14-13(15(3,4)5)10-9-11-17(14)16(6,7)8/h9-10,12H,11H2,1-8H3
InChIKeySAOWDXKCGGFSSX-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine?
The IUPAC name of 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine (CID 59616752) is 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine.
What is the SMILES notation for 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine?
The canonical SMILES for 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine is CC(C)C1=C(C(C)(C)C)C=CCN1C(C)(C)C.
What is the InChIKey of 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine?
The InChIKey is SAOWDXKCGGFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(2)14-13(15(3,4)5)10-9-11-17(14)16(6,7)8/h9-10,12H,11H2,1-8H3.
What are the key properties of 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine?
1,5-ditert-butyl-6-propan-2-yl-2H-pyridine has a molecular weight of 235.41 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-6-propan-2-yl-2H-pyridine is sourced from PubChem (CID 59616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).