Chemical ID: 7120429

Cc1c(ccc(c1OC)C[NH2+]C2CCCCC2)OC
Chemical ID:
7120429
Name [?]:
cyclohexyl-[(2,4-dimethoxy-3-methyl-phenyl)methyl]ammonium
SMILES [?]:
Cc1c(ccc(c1OC)C[NH2+]C2CCCCC2)OC
InChi [?]:
InChI=1/C16H25NO2/c1-12-15(18-2)10-9-13(16(12)19-3)11-17-14-7-5-4-6-8-14/h9-10,14,17H,4-8,11H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,19,9,15,14,16,13,17,5,4,10,2,6,12,3,7,11,18,8/E:(5,6)(7,8)/rA:19nCCCCCCCOCCN+CCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6;s10;s11;s12;s13;s14;s15;s12s16;s3;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26NO2+
All Atoms:45
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-21.8044
Area:460.535
Solvation:-33.3178
Coulombic:17.6281
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.383
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):3.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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