Chemical ID: 7121736

C[NH+](CCc1ccccn1)C2CCCCC2
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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