ChemDB: Chemical Search
Download
Chemical ID: 4536005
Chemical ID:
4536005
Name [?]:
3,5-diamino-N-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)NC(=O)c1cc(cc(c1)N)N
InChi [?]:
InChI=1/C11H17N3O/c1-11(2,3)14-10(15)7-4-8(12)6-9(13)5-7/h4-6H,12-13H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,13,11,8,10,12,6,2,15,14,5,7/E:(1,2,3)(4,5)(8,9)(12,13)/rA:15nCCCCNCOCCCCCCNN/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0763 |
Area: | 393.52 |
Solvation: | -1.7617 |
Coulombic: | -54.3447 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.272 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 4 |
XLogP: | 1.09 |
LogP (Chemaxon): | 0.21 |
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 |
---|