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Chemical ID: 7174641
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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