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Chemical ID: 7109523
Chemical ID:
7109523
Name [?]:
N,N-dimethyl-4-(4-pyridylmethylaminomethyl)aniline
SMILES [?]:
CN(C)c1ccc(cc1)CNCc2ccncc2
InChi [?]:
InChI=1/C15H19N3/c1-18(2)15-5-3-13(4-6-15)11-17-12-14-7-9-16-10-8-14/h3-10,17H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,8,5,9,14,18,15,17,10,12,7,13,4,16,11,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:18nCNCCCCCCCCNCCCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3 |
All Atoms: | 37 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84951 |
Area: | 463.64 |
Solvation: | -2.74148 |
Coulombic: | -20.1271 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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