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Chemical ID: 3959527
Chemical ID:
3959527
Name [?]:
2-(3-diethylaminopropylamino)-1-morpholino-ethanone
SMILES [?]:
CCN(CC)CCCNCC(=O)N1CCOCC1
InChi [?]:
InChI=1/C13H27N3O2/c1-3-15(4-2)7-5-6-14-12-13(17)16-8-10-18-11-9-16/h14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,8,6,14,18,15,17,10,11,9,3,13,12,16/E:(1,2)(3,4)(8,9)(10,11)/rA:18nCCNCCCCCNCCONCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H27N3O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91271 |
Area: | 492.516 |
Solvation: | -4.40019 |
Coulombic: | -36.7073 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 257.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.2 |
LogP (Chemaxon): | -0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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