CID 28112890
PubChem CID
28112890
Structure
Molecular Formula
Status
Non-live
Molecular Weight
231.36 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(1R,2S)-2-(4-methylpiperidin-1-ium-1-yl)-2,3-dihydro-1H-inden-1-amine
InChI=1S/C15H22N2/c1-11-6-8-17(9-7-11)14-10-12-4-2-3-5-13(12)15(14)16/h2-5,11,14-15H,6-10,16H2,1H3/p+1/t14-,15+/m0/s1
AZTIEEZBELSACZ-LSDHHAIUSA-O
CC1CC[NH+](CC1)[C@H]2CC3=CC=CC=C3[C@H]2N
C15H23N2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
231.36 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
231.186123742 g/mol
Property Name
Monoisotopic Mass
Property Value
231.186123742 g/mol
Property Name
Topological Polar Surface Area
Property Value
30.5 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
258
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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
CONTENTS