N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C13H22F3NO2 — CID 103215802

IUPACN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22F3NO2/c1-17-11(8-18-9-13(14,15)16)10-3-6-19-12(7-10)4-2-5-12/h10-11,17H,2-9H2,1H3
InChIKeyDXAGVDOYNJMLOF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215802) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215802
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22F3NO2/c1-17-11(8-18-9-13(14,15)16)10-3-6-19-12(7-10)4-2-5-12/h10-11,17H,2-9H2,1H3
InChIKeyDXAGVDOYNJMLOF-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)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 N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215802) is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DXAGVDOYNJMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-17-11(8-18-9-13(14,15)16)10-3-6-19-12(7-10)4-2-5-12/h10-11,17H,2-9H2,1H3.
What are the key properties of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 281.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).