CID 47104807
PubChem CID
47104807
Structure
Molecular Formula
Status
Non-live
Molecular Weight
226.34 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-butan-2-ylacetamide
InChI=1S/C12H23N3O/c1-3-11(2)13-12(16)10-15-7-4-14(5-8-15)6-9-15/h11H,3-10H2,1-2H3/p+1
AQWGNCZPPLVQET-UHFFFAOYSA-O
CCC(C)NC(=O)C[N+]12CCN(CC1)CC2
C12H24N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
226.34 g/mol
Property Name
XLogP3-AA
Property Value
0.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
226.191937398 g/mol
Property Name
Monoisotopic Mass
Property Value
226.191937398 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
245
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS