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Chemical ID: 5520874
Chemical ID:
5520874
Name [?]:
3-(cyclohexyl-isopropyl-amino)propane-1,2-diol
SMILES [?]:
CC(C)N(CC(CO)O)C1CCCCC1
InChi [?]:
InChI=1/C12H25NO2/c1-10(2)13(8-12(15)9-14)11-6-4-3-5-7-11/h10-12,14-15H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,14,11,15,5,7,2,10,6,4,8,9/E:(1,2)(4,5)(6,7)/rA:15cCCCNCCCOOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s6;s4;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.88603 |
Area: | 397.262 |
Solvation: | -4.04553 |
Coulombic: | -37.979 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.332 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.39 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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