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Chemical ID: 5069169
Chemical ID:
5069169
Name [?]:
2-(4-pyridyl)-N-[2-(4-pyridyl)ethyl]ethanamine
SMILES [?]:
c1cnccc1CCNCCc2ccncc2
InChi [?]:
InChI=1/C14H17N3/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-4,7-10,17H,5-6,11-12H2
InChi Info:
AuxInfo=1/0/N:1,5,13,17,7,11,2,4,14,16,8,10,6,12,3,15,9/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)/rA:17nCCNCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62158 |
Area: | 450.296 |
Solvation: | -2.63581 |
Coulombic: | -18.0879 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.06 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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