ChemDB: Chemical Search
Download
Chemical ID: 4110616
Chemical ID:
4110616
Name [?]:
N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine
SMILES [?]:
Cc1cc(c(c(c1)C)N=CC=Nc2c(cc(cc2C)C)C)C
InChi [?]:
InChI=1/C20H24N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,20,8,22,19,21,10,11,7,3,17,15,2,16,6,4,18,14,5,13,9,12/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)(21,22)/rA:22nCCCCCCCCNCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1522 |
Area: | 504.569 |
Solvation: | -1.46207 |
Coulombic: | -12.4261 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.57 |
LogP (Chemaxon): | 7.51 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|