Chemical ID: 5007035

CCCC[N+]1(CC2CC=CCC2C1)C
Chemical ID:
5007035
Name [?]:
2-butyl-2-methyl-1,3,3a,4,7,7a-hexahydroisoindole
SMILES [?]:
CCCC[N+]1(CC2CC=CCC2C1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H24N+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:-17.6055
Area:380.862
Solvation:-27.1271
Coulombic:21.1792
Bond Count [?]
All:15
Single:14
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:194.336
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.52
LogP (Chemaxon):-2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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