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Chemical ID: 7108618
Chemical ID:
7108618
Name [?]:
N-(p-tolylmethyl)cyclooctanamine
SMILES [?]:
Cc1ccc(cc1)CNC2CCCCCCC2
InChi [?]:
InChI=1/C16H25N/c1-14-9-11-15(12-10-14)13-17-16-7-5-3-2-4-6-8-16/h9-12,16-17H,2-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,11,17,3,7,4,6,8,2,5,10,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:17nCCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s10s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N |
All Atoms: | 42 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88988 |
Area: | 436.455 |
Solvation: | -1.0215 |
Coulombic: | -11.8809 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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