Chemical ID: 6130043

CN(CCN1CCCCC1)c2ccc3c(c2)OCCO3
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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