Chemical ID: 5278863

c1ccc2c(c1)nc3n2CN(CN3)C4CCCCCC4
Chemical ID:
5278863
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2CN(CN3)C4CCCCCC4
InChi [?]:
InChI=1/C16H22N4/c1-2-4-8-13(7-3-1)19-11-17-16-18-14-9-5-6-10-15(14)20(16)12-19/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:17,18,16,19,1,2,15,20,6,3,12,10,14,5,4,8,13,7,11,9/E:(1,2)(3,4)(7,8)/rA:20cCCCCCCNCNCNCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.96932
Area:444.703
Solvation:-2.14825
Coulombic:-30.1406
Bond Count [?]
All:23
Single:19
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:270.373
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.07
LogP (Chemaxon):4.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue