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Chemical ID: 4959811
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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Experimental Annotations
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Descriptor Annotations
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