1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane

C9H17NO — CID 91386130

IUPAC1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane
SMILESCCOCC12CNCC1C2C
InChIInChI=1S/C9H17NO/c1-3-11-6-9-5-10-4-8(9)7(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyCLIDAJKWGPHDDR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds3

About 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane

1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 91386130) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID91386130
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane
SMILESCCOCC12CNCC1C2C
InChIInChI=1S/C9H17NO/c1-3-11-6-9-5-10-4-8(9)7(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyCLIDAJKWGPHDDR-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane (CID 91386130) is 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane is CCOCC12CNCC1C2C.
What is the InChIKey of 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is CLIDAJKWGPHDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-6-9-5-10-4-8(9)7(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane?
1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 155.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91386130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).