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Chemical ID: 5526226
Chemical ID:
5526226
Name [?]:
1-cyclooctylamino-3-tert-butoxy-propan-2-ol
SMILES [?]:
CC(C)(C)OCC(CNC1CCCCCCC1)O
InChi [?]:
InChI=1/C15H31NO2/c1-15(2,3)18-12-14(17)11-16-13-9-7-5-4-6-8-10-13/h13-14,16-17H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,13,15,12,16,11,17,8,6,10,7,2,9,18,5/E:(1,2,3)(5,6)(7,8)(9,10)/rA:18cCCCCOCCCNCCCCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s10s16;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H31NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.75725 |
Area: | 477.513 |
Solvation: | -4.18058 |
Coulombic: | -33.7671 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.412 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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