Chemical ID: 4553965

CN(C)CCCCCN(C)Cc1cc2ccccc2o1
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

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Descriptor Annotations

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