3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane

C9H17NO — CID 166138784

IUPAC3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane
SMILESCCN1CC2CC(C1)C2OC
InChIInChI=1S/C9H17NO/c1-3-10-5-7-4-8(6-10)9(7)11-2/h7-9H,3-6H2,1-2H3
InChIKeyMUYQRBAGHVXXDC-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.97
Rot. Bonds2

About 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane

3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane (PubChem CID 166138784) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane
PubChem CID166138784
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane
SMILESCCN1CC2CC(C1)C2OC
InChIInChI=1S/C9H17NO/c1-3-10-5-7-4-8(6-10)9(7)11-2/h7-9H,3-6H2,1-2H3
InChIKeyMUYQRBAGHVXXDC-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane (CID 166138784) is 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane is CCN1CC2CC(C1)C2OC.
What is the InChIKey of 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane?
The InChIKey is MUYQRBAGHVXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-5-7-4-8(6-10)9(7)11-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane?
3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane has a molecular weight of 155.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 166138784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).