Chemical ID: 6713269

CC(C)[NH+]1CC[NH+](CC1)Cc2ccncc2
Chemical ID:
6713269
Name [?]:
1-isopropyl-4-(4-pyridylmethyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
CC(C)[NH+]1CC[NH+](CC1)Cc2ccncc2
InChi [?]:
InChI=1/C13H21N3/c1-12(2)16-9-7-15(8-10-16)11-13-3-5-14-6-4-13/h3-6,12H,7-11H2,1-2H3/p+2
InChi Info:
AuxInfo=1/1/N:1,3,12,16,13,15,6,8,5,9,10,2,11,14,7,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:16nCCCN+CCN+CCCCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H23N3+2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-94.6685
Area:408.942
Solvation:-104.892
Coulombic:109.225
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.342
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.05
LogP (Chemaxon):1.18

Name Annotations

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Descriptor Annotations

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