2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane

C15H27NO — CID 174179731

IUPAC2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane
SMILESCC(C)OCC1(CN2CC3CCC2CC3)CC1
InChIInChI=1S/C15H27NO/c1-12(2)17-11-15(7-8-15)10-16-9-13-3-5-14(16)6-4-13/h12-14H,3-11H2,1-2H3
InChIKeyNSKHMLKEWNNSPI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.07
Rot. Bonds5

About 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane

2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane (PubChem CID 174179731) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane
PubChem CID174179731
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane
SMILESCC(C)OCC1(CN2CC3CCC2CC3)CC1
InChIInChI=1S/C15H27NO/c1-12(2)17-11-15(7-8-15)10-16-9-13-3-5-14(16)6-4-13/h12-14H,3-11H2,1-2H3
InChIKeyNSKHMLKEWNNSPI-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane (CID 174179731) is 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane is CC(C)OCC1(CN2CC3CCC2CC3)CC1.
What is the InChIKey of 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane?
The InChIKey is NSKHMLKEWNNSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)17-11-15(7-8-15)10-16-9-13-3-5-14(16)6-4-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane?
2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane has a molecular weight of 237.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 174179731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).