BDBM36142 1-octylamine::n-Octylamine

SMILES CCCCCCCC[NH3+]

InChI Key InChIKey=IOQPZZOEVPZRBK-UHFFFAOYSA-O

Data  6 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 36142   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -3.58kcal/mole −TΔS°: -3.10kcal/mole ΔH°: -0.475kcal/mole logk: 420
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.60kcal/mole −TΔS°: 0.855kcal/mole ΔH°: -5.46kcal/mole logk: 2.38E+3
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.59kcal/mole −TΔS°: -0.405kcal/mole ΔH°: -4.19kcal/mole logk: 3.06E+3
pH: 6.9 T: 14.50°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.59kcal/mole −TΔS°: 0.684kcal/mole ΔH°: -5.27kcal/mole logk: 2.33E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.51kcal/mole −TΔS°: 1.97kcal/mole ΔH°: -6.48kcal/mole logk: 1.57E+3
pH: 6.9 T: 35.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.46kcal/mole −TΔS°: 2.96kcal/mole ΔH°: -7.43kcal/mole logk: 1.16E+3
pH: 6.9 T: 45.00°C