sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate

C7H19N3NaO3P — CID 175606320

IUPACsodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
SMILESCCCP(=O)([O-])ONCCNCCN.[Na+]
InChIInChI=1S/C7H20N3O3P.Na/c1-2-7-14(11,12)13-10-6-5-9-4-3-8;/h9-10H,2-8H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyWETADZBULKSBLK-UHFFFAOYSA-M
MW247.21 g/mol
LogP-3.98
Rot. Bonds9

About sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate

sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate (PubChem CID 175606320) has the molecular formula C7H19N3NaO3P and a molecular weight of 247.21 g/mol. Its IUPAC name is sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate.

Molecular Properties

Compound Namesodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
PubChem CID175606320
Molecular FormulaC7H19N3NaO3P
Molecular Weight247.21 g/mol
Exact Mass247.11
IUPAC Namesodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
SMILESCCCP(=O)([O-])ONCCNCCN.[Na+]
InChIInChI=1S/C7H20N3O3P.Na/c1-2-7-14(11,12)13-10-6-5-9-4-3-8;/h9-10H,2-8H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyWETADZBULKSBLK-UHFFFAOYSA-M
XLogP-3.98
TPSA99.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-3.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
CID 175606321
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
CID 57234029
sodium (2-aminoethylamino)oxy-ethylphosphinate
CID 175452891
sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
CID 173095096
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
magnesium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 175098110
potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 173094919
calcium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;phosphate
CID 174896105
(2-aminoethylamino) phosphate;manganese(2+)
CID 175393374
sodium;[2-(2-aminoethylamino)ethylamino] [hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate;hydride
CID 175158289
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359

Frequently Asked Questions

What is the IUPAC name of sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate?
The IUPAC name of sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate (CID 175606320) is sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate.
What is the SMILES notation for sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate?
The canonical SMILES for sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate is CCCP(=O)([O-])ONCCNCCN.[Na+].
What is the InChIKey of sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate?
The InChIKey is WETADZBULKSBLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H20N3O3P.Na/c1-2-7-14(11,12)13-10-6-5-9-4-3-8;/h9-10H,2-8H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate?
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate has a molecular weight of 247.21 g/mol, XLogP of -3.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate is sourced from PubChem (CID 175606320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).