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Chemical ID: 7121223
Chemical ID:
7121223
Name [?]:
3,4-dimethyl-N-(1H-pyridin-5-ylmethyl)aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2ccc[nH+]c2
InChi [?]:
InChI=1/C14H16N2/c1-11-5-6-14(8-12(11)2)16-10-13-4-3-7-15-9-13/h3-9,16H,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,13,12,3,4,14,6,16,10,2,7,11,5,15,9/rA:16nCCCCCCCCNCCCCCN+C/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N2+ |
All Atoms: | 33 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.6745 |
Area: | 415.193 |
Solvation: | -34.0544 |
Coulombic: | -3.86331 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.298 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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