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Chemical ID: 5527210
Chemical ID:
5527210
Name [?]:
3-methyl-4-pyrrolidin-1-yl-aniline
SMILES [?]:
Cc1cc(ccc1N2CCCC2)N
InChi [?]:
InChI=1/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,5,6,9,12,3,2,4,7,13,8/E:(2,3)(6,7)/rA:13nCCCCCCCNCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37252 |
Area: | 345.561 |
Solvation: | -1.2665 |
Coulombic: | -23.0254 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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