5-(azetidin-3-yloxy)-2-tert-butylpyridine

C12H18N2O — CID 134595579

IUPAC5-(azetidin-3-yloxy)-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(OC2CNC2)cn1
InChIInChI=1S/C12H18N2O/c1-12(2,3)11-5-4-9(8-14-11)15-10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyLPDXOVRYCZKNGG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.73
Rot. Bonds2

About 5-(azetidin-3-yloxy)-2-tert-butylpyridine

5-(azetidin-3-yloxy)-2-tert-butylpyridine (PubChem CID 134595579) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-2-tert-butylpyridine.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-2-tert-butylpyridine
PubChem CID134595579
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(azetidin-3-yloxy)-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(OC2CNC2)cn1
InChIInChI=1S/C12H18N2O/c1-12(2,3)11-5-4-9(8-14-11)15-10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyLPDXOVRYCZKNGG-UHFFFAOYSA-N
XLogP1.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-2-tert-butylpyridine?
The IUPAC name of 5-(azetidin-3-yloxy)-2-tert-butylpyridine (CID 134595579) is 5-(azetidin-3-yloxy)-2-tert-butylpyridine.
What is the SMILES notation for 5-(azetidin-3-yloxy)-2-tert-butylpyridine?
The canonical SMILES for 5-(azetidin-3-yloxy)-2-tert-butylpyridine is CC(C)(C)c1ccc(OC2CNC2)cn1.
What is the InChIKey of 5-(azetidin-3-yloxy)-2-tert-butylpyridine?
The InChIKey is LPDXOVRYCZKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)11-5-4-9(8-14-11)15-10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3.
What are the key properties of 5-(azetidin-3-yloxy)-2-tert-butylpyridine?
5-(azetidin-3-yloxy)-2-tert-butylpyridine has a molecular weight of 206.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-2-tert-butylpyridine is sourced from PubChem (CID 134595579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).