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Chemical ID: 6419991
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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