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Chemical ID: 5069790
Chemical ID:
5069790
Name [?]:
5-methyl-2-(4-methylpyrrolidin-2-yl)-pyridine
SMILES [?]:
Cc1ccc(nc1)C2CC(CN2)C
InChi [?]:
InChI=1/C11H16N2/c1-8-3-4-10(12-6-8)11-5-9(2)7-13-11/h3-4,6,9,11,13H,5,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,4,9,7,11,2,10,5,8,6,12/rA:13cCCCCCNCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.59622 |
Area: | 353.055 |
Solvation: | -1.23014 |
Coulombic: | -14.538 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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