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CID 28614817

PubChem CID
28614817
Structure
CID 28614817_small.png
Molecular Formula
Status
Non-live
Molecular Weight
244.46 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28614817.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl-[(4S)-4-[[(2S,3S)-3-methylpentan-2-yl]azaniumyl]pentyl]azanium

2.1.2 InChI

InChI=1S/C15H34N2/c1-7-13(4)15(6)16-14(5)11-10-12-17(8-2)9-3/h13-16H,7-12H2,1-6H3/p+2/t13-,14-,15-/m0/s1

2.1.3 InChIKey

UJRPGPIQMZPKIY-KKUMJFAQSA-P

2.1.4 SMILES

CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC

2.2 Molecular Formula

C15H36N2+2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
244.46 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
244.287849157 g/mol
Property Name
Monoisotopic Mass
Property Value
244.287849157 g/mol
Property Name
Topological Polar Surface Area
Property Value
21.1 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
166
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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