1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane

C9H17NO — CID 91445788

IUPAC1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane
SMILESCCOCC12CC1CNC2C
InChIInChI=1S/C9H17NO/c1-3-11-6-9-4-8(9)5-10-7(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyOQSKOTQVQYNGPH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane

1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 91445788) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID91445788
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane
SMILESCCOCC12CC1CNC2C
InChIInChI=1S/C9H17NO/c1-3-11-6-9-4-8(9)5-10-7(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyOQSKOTQVQYNGPH-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane (CID 91445788) is 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane is CCOCC12CC1CNC2C.
What is the InChIKey of 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is OQSKOTQVQYNGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-6-9-4-8(9)5-10-7(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91445788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).