CID 52376260
PubChem CID
52376260
Structure
Molecular Formula
Status
Non-live
Molecular Weight
269.40 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
tert-butyl 3-aza-10-azoniaspiro[5.6]dodecane-3-carboxylate
InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-11-7-15(8-12-17)5-4-9-16-10-6-15/h16H,4-12H2,1-3H3/p+1
MCLHMSGEDWSROH-UHFFFAOYSA-O
CC(C)(C)OC(=O)N1CCC2(CCC[NH2+]CC2)CC1
C15H29N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.40 g/mol
Property Name
XLogP3-AA
Property Value
2.1
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
2
Property Name
Exact Mass
Property Value
269.222903172 g/mol
Property Name
Monoisotopic Mass
Property Value
269.222903172 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.2 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
315
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
0
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
Old substance
Old substance
CONTENTS