6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane

C13H23NO2 — CID 167291861

IUPAC6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESCC(C)(C)OC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12-9-4-10(12)6-14(5-9)11-7-15-8-11/h9-12H,4-8H2,1-3H3
InChIKeyAVZKJOSFRUMLNF-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.52
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane

6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (PubChem CID 167291861) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
PubChem CID167291861
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESCC(C)(C)OC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12-9-4-10(12)6-14(5-9)11-7-15-8-11/h9-12H,4-8H2,1-3H3
InChIKeyAVZKJOSFRUMLNF-UHFFFAOYSA-N
XLogP1.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (CID 167291861) is 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is CC(C)(C)OC1C2CC1CN(C1COC1)C2.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The InChIKey is AVZKJOSFRUMLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12-9-4-10(12)6-14(5-9)11-7-15-8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane has a molecular weight of 225.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 167291861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).