Chemical ID: 5526226

CC(C)(C)OCC(CNC1CCCCCCC1)O
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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Descriptor Annotations

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