Chemical ID: 4905991

CC(C)NCCCCCNc1cccc2c1nccc2
Chemical ID:
4905991
Name [?]:
N-isopropyl-N'-(8-quinolyl)pentane-1,5-diamine
SMILES [?]:
CC(C)NCCCCCNc1cccc2c1nccc2
InChi [?]:
InChI=1/C17H25N3/c1-14(2)18-11-4-3-5-12-19-16-10-6-8-15-9-7-13-20-17(15)16/h6-10,13-14,18-19H,3-5,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,6,8,13,19,14,20,12,5,9,18,2,15,11,16,4,10,17/E:(1,2)/rA:20nCCCNCCCCCNCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.9673
Area:523.642
Solvation:-2.12375
Coulombic:-27.4464
Bond Count [?]
All:21
Single:16
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.401
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.34
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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