Chemical ID: 6733253

Cc1cccc(c1C)N2CC[NH+](CC2)CC[NH3+]
Chemical ID:
6733253
Name [?]:
2-[4-(2,3-dimethylphenyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethylammonium
SMILES [?]:
Cc1cccc(c1C)N2CC[NH+](CC2)CC[NH3+]
InChi [?]:
InChI=1/C14H23N3/c1-12-4-3-5-14(13(12)2)17-10-8-16(7-6-15)9-11-17/h3-5H,6-11,15H2,1-2H3/p+2
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,16,15,11,13,10,14,2,7,6,17,12,9/E:(8,9)(10,11)/rA:17nCCCCCCCCNCCN+CCCCN+/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s9s13;s12;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H25N3+2
All Atoms:42
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-101.076
Area:431.534
Solvation:-111.864
Coulombic:111.884
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.369
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.76
LogP (Chemaxon):2.26

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Descriptor Annotations

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