Chemical ID: 5012333

CC(C)(C)c1cc(c(c(c1)CNC2CCCCC2)O)CNC3CCCCC3
Chemical ID:
5012333
Name [?]:
2,6-bis(cyclohexylaminomethyl)-4-tert-butyl-phenol
SMILES [?]:
CC(C)(C)c1cc(c(c(c1)CNC2CCCCC2)O)CNC3CCCCC3
InChi [?]:
InChI=1/C24H40N2O/c1-24(2,3)20-14-18(16-25-21-10-6-4-7-11-21)23(27)19(15-20)17-26-22-12-8-5-9-13-22/h14-15,21-22,25-27H,4-13,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,25,15,17,24,26,14,18,23,27,10,6,11,20,9,7,5,13,22,8,2,12,21,19/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)(21,22)(25,26)/rA:27nCCCCCCCCCCCNCCCCCCOCNCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;s12;s13;s14;s15;s16;s13s17;s8;s7;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H40N2O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.2847
Area:631.901
Solvation:-2.51286
Coulombic:-36.3706
Bond Count [?]
All:29
Single:26
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.587
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:6.11
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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