1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine

C8H15NO3 — CID 19091207

IUPAC1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine
SMILESCC(N)C12OCC(C)(CO1)CO2
InChIInChI=1S/C8H15NO3/c1-6(9)8-10-3-7(2,4-11-8)5-12-8/h6H,3-5,9H2,1-2H3
InChIKeyNSIUGLGBUTXGCA-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.07
Rot. Bonds1

About 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine

1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine (PubChem CID 19091207) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine
PubChem CID19091207
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine
SMILESCC(N)C12OCC(C)(CO1)CO2
InChIInChI=1S/C8H15NO3/c1-6(9)8-10-3-7(2,4-11-8)5-12-8/h6H,3-5,9H2,1-2H3
InChIKeyNSIUGLGBUTXGCA-UHFFFAOYSA-N
XLogP0.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine 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-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
The IUPAC name of 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine (CID 19091207) is 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine is CC(N)C12OCC(C)(CO1)CO2.
What is the InChIKey of 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
The InChIKey is NSIUGLGBUTXGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(9)8-10-3-7(2,4-11-8)5-12-8/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine has a molecular weight of 173.21 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine is sourced from PubChem (CID 19091207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).