ChemDB: Chemical Search
Download
Chemical ID: 5262462
Chemical ID:
5262462
Name [?]:
3-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)propylammonium
SMILES [?]:
C[NH+]1CC[NH+](CC1)CCC[NH3+]
InChi [?]:
InChI=1/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3/p+3
InChi Info:
AuxInfo=1/1/N:1,9,10,8,3,7,4,6,11,2,5/E:(5,6)(7,8)/rA:11nCN+CCN+CCCCCN+/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H22N3+3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -192.116 |
Area: | 338.531 |
Solvation: | -200.579 |
Coulombic: | 213.787 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 160.281 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.71 |
LogP (Chemaxon): | -0.78 |
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 |
---|