6-ethoxy-1-azabicyclo[3.2.1]octane

C9H17NO — CID 19848700

IUPAC6-ethoxy-1-azabicyclo[3.2.1]octane
SMILESCCOC1CN2CCCC1C2
InChIInChI=1S/C9H17NO/c1-2-11-9-7-10-5-3-4-8(9)6-10/h8-9H,2-7H2,1H3
InChIKeyAVQUMJZLMLMNBE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 6-ethoxy-1-azabicyclo[3.2.1]octane

6-ethoxy-1-azabicyclo[3.2.1]octane (PubChem CID 19848700) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-ethoxy-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-ethoxy-1-azabicyclo[3.2.1]octane
PubChem CID19848700
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-ethoxy-1-azabicyclo[3.2.1]octane
SMILESCCOC1CN2CCCC1C2
InChIInChI=1S/C9H17NO/c1-2-11-9-7-10-5-3-4-8(9)6-10/h8-9H,2-7H2,1H3
InChIKeyAVQUMJZLMLMNBE-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-azabicyclo[3.2.1]octane?
The IUPAC name of 6-ethoxy-1-azabicyclo[3.2.1]octane (CID 19848700) is 6-ethoxy-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-ethoxy-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-ethoxy-1-azabicyclo[3.2.1]octane is CCOC1CN2CCCC1C2.
What is the InChIKey of 6-ethoxy-1-azabicyclo[3.2.1]octane?
The InChIKey is AVQUMJZLMLMNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-11-9-7-10-5-3-4-8(9)6-10/h8-9H,2-7H2,1H3.
What are the key properties of 6-ethoxy-1-azabicyclo[3.2.1]octane?
6-ethoxy-1-azabicyclo[3.2.1]octane has a molecular weight of 155.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 19848700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).