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Chemical ID: 4553965
Chemical ID:
4553965
Name [?]:
N'-(benzofuran-2-ylmethyl)-N,N,N'-trimethyl-pentane-1,5-diamine
SMILES [?]:
CN(C)CCCCCN(C)Cc1cc2ccccc2o1
InChi [?]:
InChI=1/C17H26N2O/c1-18(2)11-7-4-8-12-19(3)14-16-13-15-9-5-6-10-17(15)20-16/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,10,6,16,17,5,7,15,18,4,8,13,11,14,12,19,2,9,20/E:(1,2)/rA:20cCNCCCCCCNCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4861 |
Area: | 520.867 |
Solvation: | -2.53556 |
Coulombic: | -18.9599 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.401 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.75 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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