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Chemical ID: 7121750
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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