ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine

C17H26FN3 — CID 177186290

IUPACethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine
SMILESC=Cc1ccnc(N2CCC3(C2)CC(C)(F)C3)c1N.CC
InChIInChI=1S/C15H20FN3.C2H6/c1-3-11-4-6-18-13(12(11)17)19-7-5-15(10-19)8-14(2,16)9-15;1-2/h3-4,6H,1,5,7-10,17H2,2H3;1-2H3
InChIKeyUPXXIXQFWKQCEZ-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.05
Rot. Bonds2

About ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine

ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine (PubChem CID 177186290) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine.

Molecular Properties

Compound Nameethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine
PubChem CID177186290
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Nameethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine
SMILESC=Cc1ccnc(N2CCC3(C2)CC(C)(F)C3)c1N.CC
InChIInChI=1S/C15H20FN3.C2H6/c1-3-11-4-6-18-13(12(11)17)19-7-5-15(10-19)8-14(2,16)9-15;1-2/h3-4,6H,1,5,7-10,17H2,2H3;1-2H3
InChIKeyUPXXIXQFWKQCEZ-UHFFFAOYSA-N
XLogP4.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine?
The IUPAC name of ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine (CID 177186290) is ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine.
What is the SMILES notation for ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine?
The canonical SMILES for ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine is C=Cc1ccnc(N2CCC3(C2)CC(C)(F)C3)c1N.CC.
What is the InChIKey of ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine?
The InChIKey is UPXXIXQFWKQCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3.C2H6/c1-3-11-4-6-18-13(12(11)17)19-7-5-15(10-19)8-14(2,16)9-15;1-2/h3-4,6H,1,5,7-10,17H2,2H3;1-2H3.
What are the key properties of ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine?
ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine has a molecular weight of 291.41 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-(2-fluoro-2-methyl-6-azaspiro[3.4]octan-6-yl)pyridin-3-amine is sourced from PubChem (CID 177186290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).