N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C15H26F3NO2 — CID 103215903

IUPACN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H26F3NO2/c1-19-13(10-20-11-15(16,17)18)12-5-8-21-14(9-12)6-3-2-4-7-14/h12-13,19H,2-11H2,1H3
InChIKeyNFIJQJFCDKAGPA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215903) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215903
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H26F3NO2/c1-19-13(10-20-11-15(16,17)18)12-5-8-21-14(9-12)6-3-2-4-7-14/h12-13,19H,2-11H2,1H3
InChIKeyNFIJQJFCDKAGPA-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215903) is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NFIJQJFCDKAGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-19-13(10-20-11-15(16,17)18)12-5-8-21-14(9-12)6-3-2-4-7-14/h12-13,19H,2-11H2,1H3.
What are the key properties of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 309.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).