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Chemical ID: 3959526
Chemical ID:
3959526
Name [?]:
2-(3-diethylaminopropylamino)-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
CCN(CC)CCCNCC(=O)N1CCCC1
InChi [?]:
InChI=1/C13H27N3O/c1-3-15(4-2)9-7-8-14-12-13(17)16-10-5-6-11-16/h14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,16,7,8,6,14,17,10,11,9,3,13,12/E:(1,2)(3,4)(5,6)(10,11)/rA:17nCCNCCCCCNCCONCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H27N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01142 |
Area: | 481.679 |
Solvation: | -3.03054 |
Coulombic: | -29.0911 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 241.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.7 |
LogP (Chemaxon): | 0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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