Chemical ID: 7121053

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCC3CCCC3
Chemical ID:
7121053
Name [?]:
1-(4-cyclohexyl-2,3,5,6-tetrahydropyrazin-1-yl)-3-cyclopentyl-propan-1-one
SMILES [?]:
C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C18H32N2O/c21-18(11-10-16-6-4-5-7-16)20-14-12-19(13-15-20)17-8-2-1-3-9-17/h16-17H,1-15H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,18,21,3,5,16,15,8,12,9,11,17,4,13,7,10,14/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:21nCCCCCCN+CCNCCCOCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H33N2O+
All Atoms:54
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-18.0322
Area:512.879
Solvation:-30.8541
Coulombic:12.7471
Bond Count [?]
All:23
Single:22
Double:1
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:293.467
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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