Chemical ID: 4987736

CCCCCCCCCCCCCC[n+]1ccc(cc1)C
Chemical ID:
4987736
Name [?]:
4-methyl-1-tetradecyl-pyridine
SMILES [?]:
CCCCCCCCCCCCCC[n+]1ccc(cc1)C
InChi [?]:
InChI=1/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,21,2,3,4,5,6,7,8,9,10,11,12,13,17,19,14,16,20,18,15/E:(15,16)(18,19)/CRV:21+1/rA:21nCCCCCCCCCCCCCCN+CCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H36N+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-12.3795
Area:608.892
Solvation:-27.6018
Coulombic:16.295
Bond Count [?]
All:21
Single:18
Double:3
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:290.507
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.78
LogP (Chemaxon):2.76

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Descriptor Annotations

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