Chemical ID: 5250840

CCCCNc1cccc2c1cccn2
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

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Experimental Annotations

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Descriptor Annotations

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