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CID 28354935

PubChem CID
28354935
Structure
CID 28354935_small.png
Molecular Formula
Status
Non-live
Molecular Weight
206.35 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28354935.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl-[4-(4-propan-2-ylphenyl)butyl]azanium

2.1.2 InChI

InChI=1S/C14H23N/c1-12(2)14-9-7-13(8-10-14)6-4-5-11-15-3/h7-10,12,15H,4-6,11H2,1-3H3/p+1

2.1.3 InChIKey

IOHRMDOSMIZOGX-UHFFFAOYSA-O

2.1.4 SMILES

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

2.2 Molecular Formula

C14H24N+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
206.35 g/mol
Property Name
XLogP3-AA
Property Value
3.6
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
6
Property Name
Exact Mass
Property Value
206.190874770 g/mol
Property Name
Monoisotopic Mass
Property Value
206.190874770 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
145
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