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Chemical ID: 7154863
Chemical ID:
7154863
Name [?]:
3,5-dimethyl-1-[1-(o-tolylmethyl)-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
Cc1ccccc1C[NH+]2CCC(CC2)[NH+]3CC(CC(C3)C)C
InChi [?]:
InChI=1/C20H32N2/c1-16-12-17(2)14-22(13-16)20-8-10-21(11-9-20)15-19-7-5-4-6-18(19)3/h4-7,16-17,20H,8-15H2,1-3H3/p+2
InChi Info:
AuxInfo=1/1/N:21,22,1,4,5,3,6,11,13,10,14,18,20,16,8,19,17,2,7,12,9,15/E:(1,2)(8,9)(10,11)(13,14)(16,17)/rA:22cCCCCCCCCN+CCCCCN+CCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H34N2+2 |
All Atoms: | 56 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -78.4636 |
Area: | 516.973 |
Solvation: | -91.388 |
Coulombic: | 92.8681 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.497 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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