N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C14H24F3NO2 — CID 103215916

IUPACN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO2/c1-18-12(9-19-10-14(15,16)17)11-4-7-20-13(8-11)5-2-3-6-13/h11-12,18H,2-10H2,1H3
InChIKeyZGCPHFIDUUMCSO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds5

About N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215916) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215916
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO2/c1-18-12(9-19-10-14(15,16)17)11-4-7-20-13(8-11)5-2-3-6-13/h11-12,18H,2-10H2,1H3
InChIKeyZGCPHFIDUUMCSO-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215916) is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZGCPHFIDUUMCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-18-12(9-19-10-14(15,16)17)11-4-7-20-13(8-11)5-2-3-6-13/h11-12,18H,2-10H2,1H3.
What are the key properties of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 295.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).