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Chemical ID: 5250840
Chemical ID:
5250840
Name [?]:
N-butylquinolin-5-amine
SMILES [?]:
CCCCNc1cccc2c1cccn2
InChi [?]:
InChI=1/C13H16N2/c1-2-3-9-14-12-7-4-8-13-11(12)6-5-10-15-13/h4-8,10,14H,2-3,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,13,12,7,9,4,14,11,6,10,5,15/rA:15nCCCCNCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47359 |
Area: | 398.4 |
Solvation: | -1.48642 |
Coulombic: | -18.4337 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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