Chemical ID: 7174641

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)C3CCCC(C3)C
Chemical ID:
7174641
Name [?]:
1-ethyl-4-[1-(3-methylcyclohexyl)-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)C3CCCC(C3)C
InChi [?]:
InChI=1/C18H35N3/c1-3-19-11-13-21(14-12-19)17-7-9-20(10-8-17)18-6-4-5-16(2)15-18/h16-18H,3-15H2,1-2H3/p+3
InChi Info:
AuxInfo=1/1/N:1,21,2,17,18,16,10,14,11,13,4,8,5,7,20,19,9,15,3,12,6/E:(7,8)(9,10)(11,12)(13,14)/rA:21cCCN+CCN+CCCCCN+CCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H38N3+3
All Atoms:59
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-176.61
Area:504.694
Solvation:-189.227
Coulombic:201.713
Bond Count [?]
All:23
Single:23
Double:0
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.515
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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