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Chemical ID: 7105190
Chemical ID:
7105190
Name [?]:
N,N-diethyl-4-(4-pyridylmethylaminomethyl)aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)CNCc2ccncc2
InChi [?]:
InChI=1/C17H23N3/c1-3-20(4-2)17-7-5-15(6-8-17)13-19-14-16-9-11-18-12-10-16/h5-12,19H,3-4,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,10,7,11,16,20,17,19,12,14,9,15,6,18,13,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:20nCCNCCCCCCCCCNCCCCNCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N3 |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0755 |
Area: | 506.174 |
Solvation: | -2.57891 |
Coulombic: | -20.4758 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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