Chemical ID: 4359763

CC1CC(CC(C1)(C)C)OCC(CNC(C)(C)C)O
Chemical ID:
4359763
Name [?]:
1-tert-butylamino-3-(3,3,5-trimethylcyclohexoxy)-propan-2-ol
SMILES [?]:
CC1CC(CC(C1)(C)C)OCC(CNC(C)(C)C)O
InChi [?]:
InChI=1/C16H33NO2/c1-12-7-14(9-16(5,6)8-12)19-11-13(18)10-17-15(2,3)4/h12-14,17-18H,7-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,16,17,18,8,9,3,7,5,13,11,2,12,4,15,6,14,19,10/E:(2,3,4)(5,6)/rA:19cCCCCCCCCCOCCCNCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;s11;s12;s13;s14;s15;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H33NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:8.51303
Area:507.908
Solvation:-4.18467
Coulombic:-34.1642
Bond Count [?]
All:19
Single:19
Double:0
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.439
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):2.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue