CID 28844374
PubChem CID
28844374
Structure
Molecular Formula
Status
Non-live
Molecular Weight
271.44 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
diethyl-[(4R)-4-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azaniumyl]pentyl]azanium
InChI=1S/C15H31N3O/c1-6-11-16-15(19)14(5)17-13(4)10-9-12-18(7-2)8-3/h6,13-14,17H,1,7-12H2,2-5H3,(H,16,19)/p+2/t13-,14-/m1/s1
SQKFSVSUWMEXBI-ZIAGYGMSSA-P
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCC=C
C15H33N3O+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
271.44 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
11
Property Name
Exact Mass
Property Value
271.262362685 g/mol
Property Name
Monoisotopic Mass
Property Value
271.262362685 g/mol
Property Name
Topological Polar Surface Area
Property Value
50.2 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
252
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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
Old substance
CONTENTS