2-(methoxymethyl)-1-azabicyclo[2.2.2]octane

C9H17NO — CID 69233476

IUPAC2-(methoxymethyl)-1-azabicyclo[2.2.2]octane
SMILESCOCC1CC2CCN1CC2
InChIInChI=1S/C9H17NO/c1-11-7-9-6-8-2-4-10(9)5-3-8/h8-9H,2-7H2,1H3
InChIKeyBCLIQKLJEPXVPE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane

2-(methoxymethyl)-1-azabicyclo[2.2.2]octane (PubChem CID 69233476) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(methoxymethyl)-1-azabicyclo[2.2.2]octane
PubChem CID69233476
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(methoxymethyl)-1-azabicyclo[2.2.2]octane
SMILESCOCC1CC2CCN1CC2
InChIInChI=1S/C9H17NO/c1-11-7-9-6-8-2-4-10(9)5-3-8/h8-9H,2-7H2,1H3
InChIKeyBCLIQKLJEPXVPE-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 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane (CID 69233476) is 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane is COCC1CC2CCN1CC2.
What is the InChIKey of 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane?
The InChIKey is BCLIQKLJEPXVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-7-9-6-8-2-4-10(9)5-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane?
2-(methoxymethyl)-1-azabicyclo[2.2.2]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 2-(methoxymethyl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 69233476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).