Chemical ID: 6405933

C[N+](C)(C)CCNC(=O)CCC(=O)NCC[N+](C)(C)C
Chemical ID:
6405933
Name [?]:
trimethyl-[2-[3-(2-trimethylammonioethylcarbamoyl)propanoylamino]ethyl]ammonium
SMILES [?]:
C[N+](C)(C)CCNC(=O)CCC(=O)NCC[N+](C)(C)C
InChi [?]:
InChI=1/C14H30N4O2/c1-17(2,3)11-9-15-13(19)7-8-14(20)16-10-12-18(4,5)6/h7-12H2,1-6H3/p+2
InChi Info:
AuxInfo=1/5/N:1,3,4,18,19,20,10,11,6,15,5,16,8,12,7,14,2,17,9,13/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:17+1,18+1,19-1,20-1/rA:20nCN+CCCCNCOCCCONCCN+CCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H32N4O2+2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-59.5084
Area:543.959
Solvation:-73.1074
Coulombic:25.1487
Bond Count [?]
All:19
Single:17
Double:2
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:288.43
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-3.97
LogP (Chemaxon):-10.81

Name Annotations

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Descriptor Annotations

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