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CID 20185342

PubChem CID
20185342
Structure
CID 20185342_small.png
Molecular Formula
Status
Non-live
Molecular Weight
240.39 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 20185342.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(5-imidazolidin-4-yl-2,3-dimethylpentan-2-yl)imidazolidine

2.1.2 InChI

InChI=1S/C13H28N4/c1-11(4-5-12-8-15-9-16-12)13(2,3)17-7-6-14-10-17/h11-12,14-16H,4-10H2,1-3H3

2.1.3 InChIKey

ZLQMYAXJIHBFMF-UHFFFAOYSA-N

2.1.4 SMILES

CC(CCC1CNCN1)C(C)(C)N2CCNC2

2.2 Molecular Formula

C13H28N4

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
240.39 g/mol
Property Name
XLogP3-AA
Property Value
0.9
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
240.23139691 g/mol
Property Name
Monoisotopic Mass
Property Value
240.23139691 g/mol
Property Name
Topological Polar Surface Area
Property Value
39.3 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
242
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
2
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