1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine

C6H11NO3 — CID 55290566

IUPAC1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine
SMILESCC12OCC(N)(CO1)CO2
InChIInChI=1S/C6H11NO3/c1-5-8-2-6(7,3-9-5)4-10-5/h2-4,7H2,1H3
InChIKeyRWYSGSZSILQOIT-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.57
Rot. Bonds

About 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine

1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine (PubChem CID 55290566) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine.

Molecular Properties

Compound Name1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine
PubChem CID55290566
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine
SMILESCC12OCC(N)(CO1)CO2
InChIInChI=1S/C6H11NO3/c1-5-8-2-6(7,3-9-5)4-10-5/h2-4,7H2,1H3
InChIKeyRWYSGSZSILQOIT-UHFFFAOYSA-N
XLogP-0.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine 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-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine?
The IUPAC name of 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine (CID 55290566) is 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine.
What is the SMILES notation for 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine?
The canonical SMILES for 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine is CC12OCC(N)(CO1)CO2.
What is the InChIKey of 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine?
The InChIKey is RWYSGSZSILQOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5-8-2-6(7,3-9-5)4-10-5/h2-4,7H2,1H3.
What are the key properties of 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine?
1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine has a molecular weight of 145.16 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 55290566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).