Chemical ID: 7121750

CC1CCC(CC1)[NH+]2CC[NH+](CC2)Cc3ccc(cc3)OC
Chemical ID:
7121750
Name [?]:
1-[(4-methoxyphenyl)methyl]-4-(4-methylcyclohexyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
CC1CCC(CC1)[NH+]2CC[NH+](CC2)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C19H30N2O/c1-16-3-7-18(8-4-16)21-13-11-20(12-14-21)15-17-5-9-19(22-2)10-6-17/h5-6,9-10,16,18H,3-4,7-8,11-15H2,1-2H3/p+2
InChi Info:
AuxInfo=1/1/N:1,22,3,7,16,20,4,6,17,19,10,12,9,13,14,2,15,5,18,11,8,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22nCCCCCCCN+CCN+CCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32N2O+2
All Atoms:54
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-91.9272
Area:517.641
Solvation:-104.868
Coulombic:103.925
Bond Count [?]
All:24
Single:21
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.47
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.67
LogP (Chemaxon):3.4

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Descriptor Annotations

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