Chemical ID: 5147698

C[N+](C)(CCC#N)CC[N+](C)(C)CCC#N
Chemical ID:
5147698
Name [?]:
2-cyanoethyl-[2-(2-cyanoethyl-dimethyl-ammonio)ethyl]-dimethyl-ammonium
SMILES [?]:
C[N+](C)(CCC#N)CC[N+](C)(C)CCC#N
InChi [?]:
InChI=1/C12H24N4/c1-15(2,9-5-7-13)11-12-16(3,4)10-6-8-14/h5-6,9-12H2,1-4H3/q+2
InChi Info:
AuxInfo=1/0/N:1,3,11,12,5,14,6,15,4,13,8,9,7,16,2,10/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:15+1,16+1/rA:16nCN+CCCCNCCN+CCCCCN/rB:s1;s2;s2;s4;s5;t6;s2;s8;s9;s10;s10;s10;s13;s14;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24N4+2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-91.6331
Area:454.56
Solvation:-102.997
Coulombic:99.4761
Bond Count [?]
All:15
Single:13
Double:0
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:224.346
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-3.33
LogP (Chemaxon):-8.89

Name Annotations

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Descriptor Annotations

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