Chemical ID: 4559296

CC12CN(CC(C1O)(CN(C2)Cc3ccccc3)C)Cc4ccccc4
Chemical ID:
4559296
Name [?]:
3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILES [?]:
CC12CN(CC(C1O)(CN(C2)Cc3ccccc3)C)Cc4ccccc4
InChi [?]:
InChI=1/C23H30N2O/c1-22-15-24(13-19-9-5-3-6-10-19)17-23(2,21(22)26)18-25(16-22)14-20-11-7-4-8-12-20/h3-12,21,26H,13-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,16,24,15,17,23,25,14,18,22,26,12,20,11,3,9,5,13,21,7,2,6,10,4,8/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)(22,23)(24,25)/rA:26nCCCNCCCOCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;s2s10;s10;s12;s13;d14;s15;d16;d13s17;s6;s4;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3617
Area:553.17
Solvation:-3.46758
Coulombic:-29.2899
Bond Count [?]
All:29
Single:23
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:350.497
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):4.16

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Descriptor Annotations

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