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Chemical ID: 4905991
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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