Chemical ID: 4974415

C[N+]1(CCN(CC1)CC(c2ccccc2)(C3CCCCC3)O)C
Chemical ID:
4974415
Name [?]:
1-cyclohexyl-2-(4,4-dimethyl-2,3,5,6-tetrahydropyrazin-1-yl)-1-phenyl-ethanol
SMILES [?]:
C[N+]1(CCN(CC1)CC(c2ccccc2)(C3CCCCC3)O)C
InChi [?]:
InChI=1/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,23,13,19,12,14,18,20,11,15,17,21,4,6,3,7,8,10,16,9,5,2,22/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:22+1/rA:23cCN+CCNCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;s17;s18;s19;s16s20;s9;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H33N2O+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-16.6332
Area:504.625
Solvation:-29.2488
Coulombic:-1.32267
Bond Count [?]
All:25
Single:22
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.489
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.67
LogP (Chemaxon):-1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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