Chemical ID: 5520874

CC(C)N(CC(CO)O)C1CCCCC1
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

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Descriptor Annotations

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