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Chemical ID: 3959448
Chemical ID:
3959448
Name [?]:
1-azepan-1-yl-2-(2-methoxyethylamino)ethanone
SMILES [?]:
COCCNCC(=O)N1CCCCCC1
InChi [?]:
InChI=1/C11H22N2O2/c1-15-9-6-12-10-11(14)13-7-4-2-3-5-8-13/h12H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,4,10,15,3,6,7,5,9,8,2/E:(2,3)(4,5)(7,8)/rA:15nCOCCNCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.26294 |
Area: | 411.911 |
Solvation: | -4.03484 |
Coulombic: | -31.8523 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 214.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.17 |
LogP (Chemaxon): | -0.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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