N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine

C14H17F3N2O2 — CID 82794364

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-2-1-11(9-18-12)19-10-3-5-13(6-4-10)20-7-8-21-13/h1-2,9-10,19H,3-8H2
InChIKeyVSVRNZZCTIVYJR-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.20
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82794364) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82794364
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-2-1-11(9-18-12)19-10-3-5-13(6-4-10)20-7-8-21-13/h1-2,9-10,19H,3-8H2
InChIKeyVSVRNZZCTIVYJR-UHFFFAOYSA-N
XLogP3.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 82794364) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine is FC(F)(F)c1ccc(NC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is VSVRNZZCTIVYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)12-2-1-11(9-18-12)19-10-3-5-13(6-4-10)20-7-8-21-13/h1-2,9-10,19H,3-8H2.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 302.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82794364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).