Chemical ID: 5013226

c1c(c(cc(c1O)CNC2CCCCC2)O)CNC3CCCCC3
Chemical ID:
5013226
Name [?]:
2,5-bis(cyclohexylaminomethyl)benzene-1,4-diol
SMILES [?]:
c1c(c(cc(c1O)CNC2CCCCC2)O)CNC3CCCCC3
InChi [?]:
InChI=1/C20H32N2O2/c23-19-12-16(14-22-18-9-5-2-6-10-18)20(24)11-15(19)13-21-17-7-3-1-4-8-17/h11-12,17-18,21-24H,1-10,13-14H2
InChi Info:
AuxInfo=1/0/N:13,22,12,14,21,23,11,15,20,24,4,1,8,17,5,2,10,19,6,3,9,18,7,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCOCNCCCCCCOCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s12;s13;s10s14;s3;s2;s17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H32N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8434
Area:564.872
Solvation:-3.27844
Coulombic:-50.8024
Bond Count [?]
All:26
Single:23
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.48
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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