1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

C14H24F3NO2 — CID 79953929

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24F3NO2/c1-2-18-12(3-5-14(15,16)17)11-4-7-20-13(9-11)6-8-19-10-13/h11-12,18H,2-10H2,1H3
InChIKeyTXWGBUVKXMSOGT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 79953929) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID79953929
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24F3NO2/c1-2-18-12(3-5-14(15,16)17)11-4-7-20-13(9-11)6-8-19-10-13/h11-12,18H,2-10H2,1H3
InChIKeyTXWGBUVKXMSOGT-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

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105170268
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206190
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentyl]hydrazine
CID 105207730
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726779
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830408

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 79953929) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is TXWGBUVKXMSOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-2-18-12(3-5-14(15,16)17)11-4-7-20-13(9-11)6-8-19-10-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine 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 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 79953929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).