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CID 51381206

PubChem CID
51381206
Structure
CID 51381206_small.png
Molecular Formula
Status
Non-live
Molecular Weight
164.27 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51381206.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl-(2-methyl-2-phenylpropyl)azanium

2.1.2 InChI

InChI=1S/C11H17N/c1-11(2,9-12-3)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/p+1

2.1.3 InChIKey

XAULHYUJKOOAEB-UHFFFAOYSA-O

2.1.4 SMILES

CC(C)(C[NH2+]C)C1=CC=CC=C1

2.2 Molecular Formula

C11H18N+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
164.27 g/mol
Property Name
XLogP3-AA
Property Value
2.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
164.143924578 g/mol
Property Name
Monoisotopic Mass
Property Value
164.143924578 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
123
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

5 Information Sources

CONTENTS