Chemical ID: 7121276

c1cnccc1C[NH2+]C2CCCCC2
Chemical ID:
7121276
Name [?]:
cyclohexyl-(4-pyridylmethyl)ammonium
SMILES [?]:
c1cnccc1C[NH2+]C2CCCCC2
InChi [?]:
InChI=1/C12H18N2/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11/h6-9,12,14H,1-5,10H2/p+1
InChi Info:
AuxInfo=1/1/N:12,11,13,10,14,1,5,2,4,7,6,9,3,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCNCCCCN+CCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N2+
All Atoms:33
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-24.8926
Area:379.196
Solvation:-34.3725
Coulombic:30.6962
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.293
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.11
LogP (Chemaxon):1.85

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Descriptor Annotations

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