Chemical ID: 4225512

CCN(CC)CC(COC1CCC(CC1)C(C)(C)C)O
Chemical ID:
4225512
Name [?]:
1-diethylamino-3-(4-tert-butylcyclohexoxy)-propan-2-ol
SMILES [?]:
CCN(CC)CC(COC1CCC(CC1)C(C)(C)C)O
InChi [?]:
InChI=1/C17H35NO2/c1-6-18(7-2)12-15(19)13-20-16-10-8-14(9-11-16)17(3,4)5/h14-16,19H,6-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,17,18,19,2,4,12,14,11,15,6,8,13,7,10,16,3,20,9/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)/rA:20cCCNCCCCCOCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s16;s16;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H35NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.13229
Area:525.167
Solvation:-3.99688
Coulombic:-30.9332
Bond Count [?]
All:20
Single:20
Double:0
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:285.465
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.07
LogP (Chemaxon):3.38

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Descriptor Annotations

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