Chemical ID: 5486360

CC(C)OCCCNCC(COC(C)(C)C)O
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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