Chemical ID: 5262462

C[NH+]1CC[NH+](CC1)CCC[NH3+]
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

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Experimental Annotations

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Descriptor Annotations

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