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Chemical ID: 7109458
Chemical ID:
7109458
Name [?]:
N-(2-pyridylmethyl)cycloheptanamine
SMILES [?]:
c1ccnc(c1)CNC2CCCCCC2
InChi [?]:
InChI=1/C13H20N2/c1-2-4-8-12(7-3-1)15-11-13-9-5-6-10-14-13/h5-6,9-10,12,15H,1-4,7-8,11H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,1,2,10,15,6,3,7,9,5,4,8/E:(1,2)(3,4)(7,8)/rA:15nCCCNCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2 |
All Atoms: | 35 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11806 |
Area: | 396.252 |
Solvation: | -1.78824 |
Coulombic: | -14.7354 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 204.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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