Chemical ID: 7106745

CCN(CC)CCNCc1ccc(c(c1)OCC)OCC
Chemical ID:
7106745
Name [?]:
N'-[(3,4-diethoxyphenyl)methyl]-N,N-diethyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCNCc1ccc(c(c1)OCC)OCC
InChi [?]:
InChI=1/C17H30N2O2/c1-5-19(6-2)12-11-18-14-15-9-10-16(20-7-3)17(13-15)21-8-4/h9-10,13,18H,5-8,11-12,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,21,18,2,4,20,17,11,12,7,6,15,9,10,13,14,8,3,19,16/E:(1,2)(5,6)/rA:21nCCNCCCCNCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30N2O2
All Atoms:51
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.36833
Area:561.488
Solvation:-4.66887
Coulombic:-28.9481
Bond Count [?]
All:21
Single:18
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:294.432
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):2.42

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Descriptor Annotations

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