Chemical ID: 5246782

CN(CCCN(C)CCC1CCCCC1)CCC2CCCCC2
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

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Descriptor Annotations

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