Chemical ID: 6431335

CC1CC(CN(C1)CC(COCCC23CC4CC(C2)CC(C4)C3)O)C
Chemical ID:
6431335
Name [?]:
1-[2-(1-adamantyl)ethoxy]-3-(3,5-dimethyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CC(CN(C1)CC(COCCC23CC4CC(C2)CC(C4)C3)O)C
InChi [?]:
InChI=1/C22H39NO2/c1-16-5-17(2)13-23(12-16)14-21(24)15-25-4-3-22-9-18-6-19(10-22)8-20(7-18)11-22/h16-21,24H,3-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,13,12,3,17,20,22,19,15,23,7,5,8,10,2,4,18,16,21,9,14,6,24,11/E:(1,2)(6,7,8)(9,10,11)(12,13)(16,17)(18,19,20)/rA:25cCCCCCNCCCCOCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H39NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:10.0834
Area:577.808
Solvation:-4.36181
Coulombic:-30.9336
Bond Count [?]
All:28
Single:28
Double:0
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.551
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.33
LogP (Chemaxon):3.79

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Descriptor Annotations

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