Chemical ID: 5084023

CCN(CC)Cc1c(cc(c(c1C)CN(CC)CC)C)C
Chemical ID:
5084023
Name [?]:
N-[[3-(diethylaminomethyl)-2,4,6-trimethyl-phenyl]methyl]-N-ethyl-ethanamine
SMILES [?]:
CCN(CC)Cc1c(cc(c(c1C)CN(CC)CC)C)C
InChi [?]:
InChI=1/C19H34N2/c1-8-20(9-2)13-18-15(5)12-16(6)19(17(18)7)14-21(10-3)11-4/h12H,8-11,13-14H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,5,17,19,21,20,13,2,4,16,18,9,6,14,8,10,12,7,11,3,15/E:(1,2,3,4)(5,6)(8,9,10,11)(13,14)(15,16)(18,19)(20,21)/rA:21nCCNCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s11;s14;s15;s16;s15;s18;s10;s8;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H34N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.8127
Area:504.254
Solvation:-1.79369
Coulombic:-10.9397
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:290.487
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.53
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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