5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C13H23NO2 — CID 170601399

IUPAC5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)OCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)16-9-13(3-4-13)8-14-6-12-5-11(14)7-15-12/h10-12H,3-9H2,1-2H3
InChIKeyBOCDGOZUTIHFPS-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.66
Rot. Bonds5

About 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 170601399) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID170601399
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)OCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)16-9-13(3-4-13)8-14-6-12-5-11(14)7-15-12/h10-12H,3-9H2,1-2H3
InChIKeyBOCDGOZUTIHFPS-UHFFFAOYSA-N
XLogP1.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 170601399) is 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is CC(C)OCC1(CN2CC3CC2CO3)CC1.
What is the InChIKey of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is BOCDGOZUTIHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)16-9-13(3-4-13)8-14-6-12-5-11(14)7-15-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 225.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170601399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).