6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine

C14H17F3N2O3 — CID 97259582

IUPAC6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC[C@@H]2COC3(CCOCC3)O2)n1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-2-1-3-12(19-11)18-8-10-9-21-13(22-10)4-6-20-7-5-13/h1-3,10H,4-9H2,(H,18,19)/t10-/m1/s1
InChIKeyWYQDCDOSUMXIIF-SNVBAGLBSA-N
MW318.29 g/mol
LogP2.43
Rot. Bonds3

About 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine

6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine (PubChem CID 97259582) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine
PubChem CID97259582
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC[C@@H]2COC3(CCOCC3)O2)n1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-2-1-3-12(19-11)18-8-10-9-21-13(22-10)4-6-20-7-5-13/h1-3,10H,4-9H2,(H,18,19)/t10-/m1/s1
InChIKeyWYQDCDOSUMXIIF-SNVBAGLBSA-N
XLogP2.43
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408673
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine
CID 91660937
N-(3-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61776839
N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 61777468
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61778935
N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61779331
N-(2-methoxyethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61779723
N-((6,6-dimethyl-1,4-dioxan-2-yl)methyl)-3,6-difluoropyridin-2-amine
CID 67043237
N-((5,5-Dimethyl-1,4-dioxan-2-yl)methyl)-3,6-difluoropyridin-2-amine
CID 67043255
N-(2-methyl-2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyridin-2-amine
CID 91033575
N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine
CID 91190287

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine (CID 97259582) is 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine is FC(F)(F)c1cccc(NC[C@@H]2COC3(CCOCC3)O2)n1.
What is the InChIKey of 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine?
The InChIKey is WYQDCDOSUMXIIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)11-2-1-3-12(19-11)18-8-10-9-21-13(22-10)4-6-20-7-5-13/h1-3,10H,4-9H2,(H,18,19)/t10-/m1/s1.
What are the key properties of 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine?
6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine has a molecular weight of 318.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 97259582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).