3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane

C9H17NO — CID 168881501

IUPAC3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCOCC1C2CCC(C2)N1C
InChIInChI=1S/C9H17NO/c1-10-8-4-3-7(5-8)9(10)6-11-2/h7-9H,3-6H2,1-2H3
InChIKeyLACAZPCNYFYFBV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane

3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 168881501) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID168881501
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCOCC1C2CCC(C2)N1C
InChIInChI=1S/C9H17NO/c1-10-8-4-3-7(5-8)9(10)6-11-2/h7-9H,3-6H2,1-2H3
InChIKeyLACAZPCNYFYFBV-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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Related Compounds

[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 10582877
[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 54244939
2-butyl-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane
CID 168880753
(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
CID 129108201
(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 164921904
(1R,4S)-3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
CID 157364347
10-methyl-10-azatricyclo[9.6.2.12,9]icosane
CID 134213267
[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 154990503
(2S,3aS,7aS)-2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59055350
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
(2R,3S)-2-(methoxymethyl)-1-methyl-3-propan-2-yloxypyrrolidine
CID 168880889
2-(methoxymethyl)-1-methyl-3-propan-2-yloxypyrrolidine
CID 168881366

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane (CID 168881501) is 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane is COCC1C2CCC(C2)N1C.
What is the InChIKey of 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is LACAZPCNYFYFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-8-4-3-7(5-8)9(10)6-11-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane?
3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane 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 3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 168881501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).