Chemical ID: 4849508

CCCC[N+]12CCC(CC1(C)C)CC2(C)C
Chemical ID:
4849508
Name [?]:
1-butyl-6,6,7,7-tetramethyl-1-azoniabicyclo[2.2.2]octane
SMILES [?]:
CCCC[N+]12CCC(CC1(C)C)CC2(C)C
InChi [?]:
InChI=1/C15H30N/c1-6-7-9-16-10-8-13(11-14(16,2)3)12-15(16,4)5/h13H,6-12H2,1-5H3/q+1
InChi Info:
AuxInfo=1/0/N:1,11,12,15,16,2,3,7,4,6,9,13,8,10,14,5/E:(2,3,4,5)(11,12)(14,15)/CRV:16+1/rA:16nCCCCN+CCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s10;s10;s8;s5s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H30N+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-13.3999
Area:387.078
Solvation:-23.0769
Coulombic:19.9834
Bond Count [?]
All:17
Single:17
Double:0
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:224.405
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.78
LogP (Chemaxon):-1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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