ChemDB: Chemical Search
Download
Chemical ID: 4264588
Chemical ID:
4264588
Name [?]:
triethyl-(5-triethylammoniopentyl)ammonium
SMILES [?]:
CC[N+](CC)(CC)CCCCC[N+](CC)(CC)CC
InChi [?]:
InChI=1/C17H40N2/c1-7-18(8-2,9-3)16-14-13-15-17-19(10-4,11-5)12-6/h7-17H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,5,7,15,17,19,2,4,6,14,16,18,10,9,11,8,12,3,13/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(14,15)(16,17)(18,19)/CRV:18+1,19+1/rA:19nCCN+CCCCCCCCCN+CCCCCC/rB:s1;s2;s3;s4;s3;s6;s3;s8;s9;s10;s11;s12;s13;s14;s13;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H40N2+2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -60.9648 |
Area: | 514.898 |
Solvation: | -73.8373 |
Coulombic: | 67.4343 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 272.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.98 |
LogP (Chemaxon): | -6.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|