N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine

C13H16F3N3O — CID 102718840

IUPACN-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H16F3N3O/c1-17-11-4-8(13(14,15)16)5-12(18-11)19-6-9-2-3-10(7-19)20-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyOVRQAVVVZFLSNV-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.51
Rot. Bonds2

About N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102718840) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102718840
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H16F3N3O/c1-17-11-4-8(13(14,15)16)5-12(18-11)19-6-9-2-3-10(7-19)20-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyOVRQAVVVZFLSNV-UHFFFAOYSA-N
XLogP2.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102718840) is N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OVRQAVVVZFLSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-17-11-4-8(13(14,15)16)5-12(18-11)19-6-9-2-3-10(7-19)20-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102718840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).