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Chemical ID: 5246782
Chemical ID:
5246782
Name [?]:
N,N'-bis(2-cyclohexylethyl)-N,N'-dimethyl-propane-1,3-diamine
SMILES [?]:
CN(CCCN(C)CCC1CCCCC1)CCC2CCCCC2
InChi [?]:
InChI=1/C21H42N2/c1-22(18-14-20-10-5-3-6-11-20)16-9-17-23(2)19-15-21-12-7-4-8-13-21/h20-21H,3-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,21,13,20,22,12,14,4,19,23,11,15,17,9,3,5,16,8,18,10,2,6/E:(1,2)(3,4)(5,6,7,8)(10,11,12,13)(14,15)(16,17)(18,19)(20,21)(22,23)/rA:23cCNCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s10s14;s2;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H42N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.7391 |
Area: | 603.912 |
Solvation: | -1.35869 |
Coulombic: | -12.9958 |
Bond Count [?]
All: | 24 |
Single: | 24 |
Double: | 0 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 322.572 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.67 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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