3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane

C12H23NO — CID 58364949

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane
SMILESCC(C)(C)OCC1CN2CCC1CC2
InChIInChI=1S/C12H23NO/c1-12(2,3)14-9-11-8-13-6-4-10(11)5-7-13/h10-11H,4-9H2,1-3H3
InChIKeyYGNMNXGOCCMLDE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane

3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane (PubChem CID 58364949) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane
PubChem CID58364949
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane
SMILESCC(C)(C)OCC1CN2CCC1CC2
InChIInChI=1S/C12H23NO/c1-12(2,3)14-9-11-8-13-6-4-10(11)5-7-13/h10-11H,4-9H2,1-3H3
InChIKeyYGNMNXGOCCMLDE-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane (CID 58364949) is 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane is CC(C)(C)OCC1CN2CCC1CC2.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane?
The InChIKey is YGNMNXGOCCMLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)14-9-11-8-13-6-4-10(11)5-7-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane?
3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane has a molecular weight of 197.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 58364949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).