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Chemical ID: 4119444
Chemical ID:
4119444
Name [?]:
N-(2-pyridylmethyl)cyclohexanamine
SMILES [?]:
c1ccnc(c1)CNC2CCCCC2
InChi [?]:
InChI=1/C12H18N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h4-5,8-9,11,14H,1-3,6-7,10H2
InChi Info:
AuxInfo=1/0/N:12,11,13,1,2,10,14,6,3,7,9,5,4,8/E:(2,3)(6,7)/rA:14nCCCNCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7179 |
Area: | 380.478 |
Solvation: | -1.79406 |
Coulombic: | -14.4251 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 190.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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