CID 5331867
PubChem CID
5331867
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
239.27 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
5-(butylaminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
InChI=1S/C11H17N3O3/c1-4-5-6-12-7-8-9(15)13(2)11(17)14(3)10(8)16/h7,12H,4-6H2,1-3H3
MWWYBWDSQBKRHH-UHFFFAOYSA-N
CCCCNC=C1C(=O)N(C(=O)N(C1=O)C)C
C11H17N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
239.27 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
239.12699141 g/mol
Property Name
Monoisotopic Mass
Property Value
239.12699141 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.7 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
350
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
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CONTENTS