Chemical ID: 6419991

CC1(C2CCC1(CN(C2)CCC[N+](C)(C)C)C)C
Chemical ID:
6419991
Name [?]:
trimethyl-[3-(5,8,8-trimethyl-3-azabicyclo[3.2.1]oct-3-yl)propyl]ammonium
SMILES [?]:
CC1(C2CCC1(CN(C2)CCC[N+](C)(C)C)C)C
InChi [?]:
InChI=1/C16H33N2/c1-15(2)14-8-9-16(15,3)13-17(12-14)10-7-11-18(4,5)6/h14H,7-13H2,1-6H3/q+1
InChi Info:
AuxInfo=1/0/N:1,18,17,14,15,16,11,4,5,10,12,9,7,3,2,6,8,13/E:(1,2)(4,5,6)/CRV:18+1/rA:18cCCCCCCCNCCCCN+CCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;s11;s12;s13;s13;s13;s6;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H33N2+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:-17.7334
Area:447.939
Solvation:-28.9319
Coulombic:18.1452
Bond Count [?]
All:19
Single:19
Double:0
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.447
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.63
LogP (Chemaxon):-2.09

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