N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C15H26F3NO2 — CID 103215804

IUPACN-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H26F3NO2/c1-2-7-19-13(10-20-11-15(16,17)18)12-4-8-21-14(9-12)5-3-6-14/h12-13,19H,2-11H2,1H3
InChIKeyUKUBLHODBPLCKP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds7

About N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215804) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215804
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC NameN-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H26F3NO2/c1-2-7-19-13(10-20-11-15(16,17)18)12-4-8-21-14(9-12)5-3-6-14/h12-13,19H,2-11H2,1H3
InChIKeyUKUBLHODBPLCKP-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215804) is N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is UKUBLHODBPLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-2-7-19-13(10-20-11-15(16,17)18)12-4-8-21-14(9-12)5-3-6-14/h12-13,19H,2-11H2,1H3.
What are the key properties of N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 309.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).