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CID 28323263

PubChem CID
28323263
Structure
CID 28323263_small.png
Molecular Formula
Status
Non-live
Molecular Weight
192.28 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28323263.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(2S)-2-methylpiperidin-1-yl]pyridin-1-ium-3-amine

2.1.2 InChI

InChI=1S/C11H17N3/c1-9-4-2-3-7-14(9)11-5-6-13-8-10(11)12/h5-6,8-9H,2-4,7,12H2,1H3/p+1/t9-/m0/s1

2.1.3 InChIKey

DEUIMZKPTXOXJO-VIFPVBQESA-O

2.1.4 SMILES

C[C@H]1CCCCN1C2=C(C=[NH+]C=C2)N

2.2 Molecular Formula

C11H18N3+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
192.28 g/mol
Property Name
XLogP3-AA
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
192.150072587 g/mol
Property Name
Monoisotopic Mass
Property Value
192.150072587 g/mol
Property Name
Topological Polar Surface Area
Property Value
43.4 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
183
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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

5 Information Sources

CONTENTS