ChemDB: Chemical Search
Download
Chemical ID: 6741791
Chemical ID:
6741791
Name [?]:
N-[(4-dimethylaminophenyl)methyl]-2-methyl-1H-pyridin-6-amine
SMILES [?]:
Cc1cccc([nH+]1)NCc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C15H19N3/c1-12-5-4-6-15(17-12)16-11-13-7-9-14(10-8-13)18(2)3/h4-10H,11H2,1-3H3,(H,16,17)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,4,3,5,11,15,12,14,9,2,10,13,6,8,7,16/E:(2,3)(7,8)(9,10)/rA:18nCCCCCCN+NCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N3+ |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.5337 |
Area: | 456.007 |
Solvation: | -30.9339 |
Coulombic: | -14.2831 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.22 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|