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Chemical ID: 4625413
Chemical ID:
4625413
Name [?]:
N-(1-methyl-2-phenyl-ethyl)quinuclidin-3-amine
SMILES [?]:
CC(Cc1ccccc1)NC2CN3CCC2CC3
InChi [?]:
InChI=1/C16H24N2/c1-13(11-14-5-3-2-4-6-14)17-16-12-18-9-7-15(16)8-10-18/h2-6,13,15-17H,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,15,17,14,18,3,12,2,4,16,11,10,13/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCCCCCCCCNCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;s12;s13;s14;s11s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.09711 |
Area: | 419.115 |
Solvation: | -1.38077 |
Coulombic: | -15.4786 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 244.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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