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Chemical ID: 5220848
Chemical ID:
5220848
Name [?]:
1-methyl-3-(1-methylpyrrolidin-2-yl)-pyridine
SMILES [?]:
C[n+]1cccc(c1)C2CCCN2C
InChi [?]:
InChI=1/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,13,4,10,5,9,3,11,7,6,8,2,12/CRV:12+1/rA:13cCN+CCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s8s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N2+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -20.9632 |
Area: | 339.804 |
Solvation: | -29.4583 |
Coulombic: | 16.5672 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.1 |
LogP (Chemaxon): | -2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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