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

C14H18F3N3O — CID 102718839

IUPACN-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H18F3N3O/c1-2-18-12-5-9(14(15,16)17)6-13(19-12)20-7-10-3-4-11(8-20)21-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyYQUGSZAXXJALCC-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.90
Rot. Bonds3

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

N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102718839) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102718839
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H18F3N3O/c1-2-18-12-5-9(14(15,16)17)6-13(19-12)20-7-10-3-4-11(8-20)21-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyYQUGSZAXXJALCC-UHFFFAOYSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102718839) is N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YQUGSZAXXJALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-2-18-12-5-9(14(15,16)17)6-13(19-12)20-7-10-3-4-11(8-20)21-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 301.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102718839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).