Chemical ID: 6660045

c1ccc(cc1)CNc2ccc(cn2)N
Chemical ID:
6660045
Name [?]:
N-benzylpyridine-2,5-diamine
SMILES [?]:
c1ccc(cc1)CNc2ccc(cn2)N
InChi [?]:
InChI=1/C12H13N3/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-7,9H,8,13H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,10,7,13,4,12,9,15,8,14/E:(2,3)(4,5)/rA:15nCCCCCCCNCCCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.83078
Area:390.858
Solvation:-1.94067
Coulombic:-34.798
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.252
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.61
LogP (Chemaxon):2.0

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