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CID 27681104

PubChem CID
27681104
Structure
CID 27681104_small.png
Molecular Formula
Status
Non-live
Molecular Weight
159.25 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 27681104.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]azanium

2.1.2 InChI

InChI=1S/C8H18N2O/c1-7(2,3)10-6(11)8(4,5)9/h9H2,1-5H3,(H,10,11)/p+1

2.1.3 InChIKey

ZUVGMHPQWJDXHH-UHFFFAOYSA-O

2.1.4 SMILES

CC(C)(C)NC(=O)C(C)(C)[NH3+]

2.2 Molecular Formula

C8H19N2O+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
159.25 g/mol
Property Name
XLogP3-AA
Property Value
0.2
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
2
Property Name
Exact Mass
Property Value
159.149738234 g/mol
Property Name
Monoisotopic Mass
Property Value
159.149738234 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.7 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
156
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