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Chemical ID: 7121736
Chemical ID:
7121736
Name [?]:
cyclohexyl-methyl-[2-(2-pyridyl)ethyl]ammonium
SMILES [?]:
C[NH+](CCc1ccccn1)C2CCCCC2
InChi [?]:
InChI=1/C14H22N2/c1-16(14-8-3-2-4-9-14)12-10-13-7-5-6-11-15-13/h5-7,11,14H,2-4,8-10,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,14,13,15,7,8,6,12,16,4,9,3,5,11,10,2/E:(3,4)(8,9)/rA:16cCN+CCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N2+ |
All Atoms: | 39 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -19.1706 |
Area: | 419.024 |
Solvation: | -29.6462 |
Coulombic: | 22.528 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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