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Chemical ID: 6660045
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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