Chemical ID: 7173111

CC(C)(C)C1CCC(CC1)OCC(C[NH+]2CC[NH+](CC2)C)O
Chemical ID:
7173111
Name [?]:
1-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-3-(4-tert-butylcyclohexoxy)-propan-2-ol
SMILES [?]:
CC(C)(C)C1CCC(CC1)OCC(C[NH+]2CC[NH+](CC2)C)O
InChi [?]:
InChI=1/C18H36N2O2/c1-18(2,3)15-5-7-17(8-6-15)22-14-16(21)13-20-11-9-19(4)10-12-20/h15-17,21H,5-14H2,1-4H3/p+2
InChi Info:
AuxInfo=1/1/N:1,3,4,21,6,10,7,9,17,19,16,20,14,12,5,13,8,2,18,15,22,11/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:22cCCCCCCCCCCOCCCN+CCN+CCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H38N2O2+2
All Atoms:60
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-94.424
Area:548.137
Solvation:-108.127
Coulombic:88.299
Bond Count [?]
All:23
Single:23
Double:0
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.507
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.86
LogP (Chemaxon):2.5

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Descriptor Annotations

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