2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C15H26F3NO — CID 102900559

IUPAC2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26F3NO/c1-12(10-19-11-15(16,17)18)9-13-5-8-14(20-13)6-3-2-4-7-14/h12-13,19H,2-11H2,1H3
InChIKeyUHBLVZVABGYCSG-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds5

About 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 102900559) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID102900559
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26F3NO/c1-12(10-19-11-15(16,17)18)9-13-5-8-14(20-13)6-3-2-4-7-14/h12-13,19H,2-11H2,1H3
InChIKeyUHBLVZVABGYCSG-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine with MolForge

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Related Compounds

(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 55106643
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62111258
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 62725780
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 63473959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 102900559) is 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is UHBLVZVABGYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-12(10-19-11-15(16,17)18)9-13-5-8-14(20-13)6-3-2-4-7-14/h12-13,19H,2-11H2,1H3.
What are the key properties of 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 102900559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).