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Chemical ID: 6130043
Chemical ID:
6130043
Name [?]:
N-methyl-N-[2-(1-piperidyl)ethyl]-2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-amine
SMILES [?]:
CN(CCN1CCCCC1)c2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C16H24N2O2/c1-17(9-10-18-7-3-2-4-8-18)14-5-6-15-16(13-14)20-12-11-19-15/h5-6,13H,2-4,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,12,13,6,10,3,4,19,18,16,11,14,15,2,5,20,17/E:(3,4)(7,8)/rA:20cCNCCNCCCCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2;s11;d12;s13;d14;d11s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.96093 |
Area: | 475.784 |
Solvation: | -2.93367 |
Coulombic: | -28.1913 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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