Chemical ID: 4536005

CC(C)(C)NC(=O)c1cc(cc(c1)N)N
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

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Descriptor Annotations

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