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Chemical ID: 7108624
Chemical ID:
7108624
Name [?]:
N-(4-pyridylmethyl)cyclooctanamine
SMILES [?]:
c1cnccc1CNC2CCCCCCC2
InChi [?]:
InChI=1/C14H22N2/c1-2-4-6-14(7-5-3-1)16-12-13-8-10-15-11-9-13/h8-11,14,16H,1-7,12H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,10,16,1,5,2,4,7,6,9,3,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:16nCCNCCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s9s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2 |
All Atoms: | 38 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6331 |
Area: | 411.365 |
Solvation: | -1.65102 |
Coulombic: | -14.7791 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.25 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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