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Chemical ID: 6541220
Chemical ID:
6541220
Name [?]:
N,N-diethyl-4-(morpholinomethyleneamino)aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)N=CN2CCOCC2
InChi [?]:
InChI=1/C15H23N3O/c1-3-18(4-2)15-7-5-14(6-8-15)16-13-17-9-11-19-12-10-17/h5-8,13H,3-4,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,10,7,11,15,19,16,18,13,9,6,12,14,3,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:19nCCNCCCCCCCCNCNCCOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32863 |
Area: | 455.881 |
Solvation: | -3.06838 |
Coulombic: | -26.1392 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.363 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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