potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride

C9H25KN3O3P — CID 173094919

IUPACpotassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
SMILESCCCCCP(=O)(O)ONCCNCCN.[H-].[K+]
InChIInChI=1S/C9H24N3O3P.K.H/c1-2-3-4-9-16(13,14)15-12-8-7-11-6-5-10;;/h11-12H,2-10H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyJBHCHWFONCAJHV-UHFFFAOYSA-N
MW293.39 g/mol
LogP-2.45
Rot. Bonds11

About potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride

potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride (PubChem CID 173094919) has the molecular formula C9H25KN3O3P and a molecular weight of 293.39 g/mol. Its IUPAC name is potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride.

Molecular Properties

Compound Namepotassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
PubChem CID173094919
Molecular FormulaC9H25KN3O3P
Molecular Weight293.39 g/mol
Exact Mass293.13
IUPAC Namepotassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
SMILESCCCCCP(=O)(O)ONCCNCCN.[H-].[K+]
InChIInChI=1S/C9H24N3O3P.K.H/c1-2-3-4-9-16(13,14)15-12-8-7-11-6-5-10;;/h11-12H,2-10H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyJBHCHWFONCAJHV-UHFFFAOYSA-N
XLogP-2.45
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 175098110
sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
CID 173095096
[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
CID 175606321
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
CID 57234029
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
sodium;[2-(2-aminoethylamino)ethylamino] [hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate;hydride
CID 175158289
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
[2-(2-aminoethylamino)ethylamino] 2-octyldecanoate
CID 174853897
6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164

Frequently Asked Questions

What is the IUPAC name of potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride?
The IUPAC name of potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride (CID 173094919) is potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride.
What is the SMILES notation for potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride?
The canonical SMILES for potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride is CCCCCP(=O)(O)ONCCNCCN.[H-].[K+].
What is the InChIKey of potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride?
The InChIKey is JBHCHWFONCAJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N3O3P.K.H/c1-2-3-4-9-16(13,14)15-12-8-7-11-6-5-10;;/h11-12H,2-10H2,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride?
potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride has a molecular weight of 293.39 g/mol, XLogP of -2.45, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride is sourced from PubChem (CID 173094919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).