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Chemical ID: 7109464
Chemical ID:
7109464
Name [?]:
N-(2-pyridylmethyl)cyclooctanamine
SMILES [?]:
c1ccnc(c1)CNC2CCCCCCC2
InChi [?]:
InChI=1/C14H22N2/c1-2-4-8-13(9-5-3-1)16-12-14-10-6-7-11-15-14/h6-7,10-11,13,16H,1-5,8-9,12H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,1,2,10,16,6,3,7,9,5,4,8/E:(2,3)(4,5)(8,9)/rA:16nCCCNCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;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: | 8.51423 |
Area: | 412.294 |
Solvation: | -1.79312 |
Coulombic: | -15.0135 |
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: | 3.34 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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