N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine

C15H19F3N2O — CID 133377682

IUPACN-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-4-3-5-13(20-12)19-11-6-9-21-14(10-11)7-1-2-8-14/h3-5,11H,1-2,6-10H2,(H,19,20)
InChIKeyHJGMHOBKAOGYMR-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.00
Rot. Bonds2

About N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine

N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 133377682) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID133377682
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-4-3-5-13(20-12)19-11-6-9-21-14(10-11)7-1-2-8-14/h3-5,11H,1-2,6-10H2,(H,19,20)
InChIKeyHJGMHOBKAOGYMR-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 133377682) is N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NC2CCOC3(CCCC3)C2)n1.
What is the InChIKey of N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HJGMHOBKAOGYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-4-3-5-13(20-12)19-11-6-9-21-14(10-11)7-1-2-8-14/h3-5,11H,1-2,6-10H2,(H,19,20).
What are the key properties of N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxaspiro[4.5]decan-9-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133377682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).