Chemical ID: 4959811

CC[N+](C)(CC)CCCCC[N+](C)(CC)CC
Chemical ID:
4959811
Name [?]:
5-(diethyl-methyl-ammonio)pentyl-diethyl-methyl-ammonium
SMILES [?]:
CC[N+](C)(CC)CCCCC[N+](C)(CC)CC
InChi [?]:
InChI=1/C15H36N2/c1-7-16(5,8-2)14-12-11-13-15-17(6,9-3)10-4/h7-15H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,6,15,17,4,13,2,5,14,16,9,8,10,7,11,3,12/E:(1,2,3,4)(5,6)(7,8,9,10)(12,13)(14,15)(16,17)/CRV:16+1,17+1/rA:17nCCN+CCCCCCCCN+CCCCC/rB:s1;s2;s3;s3;s5;s3;s7;s8;s9;s10;s11;s12;s12;s14;s12;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H36N2+2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-63.6441
Area:478.523
Solvation:-75.6072
Coulombic:68.4914
Bond Count [?]
All:16
Single:16
Double:0
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:244.46
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.14
LogP (Chemaxon):-6.75

Name Annotations

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Descriptor Annotations

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