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Chemical ID: 5486360
Chemical ID:
5486360
Name [?]:
1-(3-isopropoxypropylamino)-3-tert-butoxy-propan-2-ol
SMILES [?]:
CC(C)OCCCNCC(COC(C)(C)C)O
InChi [?]:
InChI=1/C13H29NO3/c1-11(2)16-8-6-7-14-9-12(15)10-17-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,16,6,7,5,9,11,2,10,13,8,17,4,12/E:(1,2)(3,4,5)/rA:17cCCCOCCCNCCCOCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H29NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.67622 |
Area: | 503.471 |
Solvation: | -5.91056 |
Coulombic: | -39.8974 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 247.374 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.31 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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