3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine

C15H26F3NO — CID 79915275

IUPAC3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26F3NO/c1-2-8-19-13(11-15(16,17)18)12-5-9-20-14(10-12)6-3-4-7-14/h12-13,19H,2-11H2,1H3
InChIKeyJPKPLMROLVCEHA-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds5

About 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine (PubChem CID 79915275) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
PubChem CID79915275
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26F3NO/c1-2-8-19-13(11-15(16,17)18)12-5-9-20-14(10-12)6-3-4-7-14/h12-13,19H,2-11H2,1H3
InChIKeyJPKPLMROLVCEHA-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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine (CID 79915275) is 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine?
The InChIKey is JPKPLMROLVCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-8-19-13(11-15(16,17)18)12-5-9-20-14(10-12)6-3-4-7-14/h12-13,19H,2-11H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-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 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79915275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).