Chemical ID: 7124759

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)Cc3ccccn3
Chemical ID:
7124759
Name [?]:
1-methyl-4-[1-(2-pyridylmethyl)-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)Cc3ccccn3
InChi [?]:
InChI=1/C16H26N4/c1-18-10-12-20(13-11-18)16-5-8-19(9-6-16)14-15-4-2-3-7-17-15/h2-4,7,16H,5-6,8-14H2,1H3/p+3
InChi Info:
AuxInfo=1/1/N:1,17,18,16,9,13,19,10,12,3,7,4,6,14,15,8,20,2,11,5/E:(5,6)(8,9)(10,11)(12,13)/rA:20nCN+CCN+CCCCCN+CCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H29N4+3
All Atoms:49
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-179.025
Area:474.456
Solvation:-190.886
Coulombic:198.514
Bond Count [?]
All:22
Single:19
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.428
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.65
LogP (Chemaxon):0.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue