Chemical ID: 7353434

CC(C)CCC(CCN1CCCC1)c2ccc(cc2)OC(C)C
Chemical ID:
7353434
Name [?]:
1-[3-(4-isopropoxyphenyl)-6-methyl-heptyl]pyrrolidine
SMILES [?]:
CC(C)CCC(CCN1CCCC1)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C21H35NO/c1-17(2)7-8-20(13-16-22-14-5-6-15-22)19-9-11-21(12-10-19)23-18(3)4/h9-12,17-18,20H,5-8,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,23,11,12,4,5,15,19,16,18,7,10,13,8,2,21,14,6,17,9,20/E:(1,2)(3,4)(5,6)(9,10)(11,12)(14,15)/rA:23cCCCCCCCCNCCCCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s9s12;s6;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H35NO
All Atoms:58
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:12.3992
Area:582.646
Solvation:-2.16695
Coulombic:-15.599
Bond Count [?]
All:24
Single:21
Double:3
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:6.31
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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