Chemical ID: 7109458

c1ccnc(c1)CNC2CCCCCC2
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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