Chemical ID: 6189911

CC1CCCN(C1)CC(COCCC23CC4CC(C2)CC(C4)C3)O
Chemical ID:
6189911
Name [?]:
1-[2-(1-adamantyl)ethoxy]-3-(3-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCCN(C1)CC(COCCC23CC4CC(C2)CC(C4)C3)O
InChi [?]:
InChI=1/C21H37NO2/c1-16-3-2-5-22(13-16)14-20(23)15-24-6-4-21-10-17-7-18(11-21)9-19(8-17)12-21/h16-20,23H,2-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,13,5,12,17,20,22,19,15,23,7,8,10,2,18,16,21,9,14,6,24,11/E:(7,8,9)(10,11,12)(17,18,19)/rA:24cCCCCCNCCCCOCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H37NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:9.6247
Area:559.092
Solvation:-4.3526
Coulombic:-30.5001
Bond Count [?]
All:27
Single:27
Double:0
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.524
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.04
LogP (Chemaxon):3.38

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