2-aminoethoxy(1-aminopentyl)phosphinic acid

C7H19N2O3P — CID 174932850

IUPAC2-aminoethoxy(1-aminopentyl)phosphinic acid
SMILESCCCCC(N)P(=O)(O)OCCN
InChIInChI=1S/C7H19N2O3P/c1-2-3-4-7(9)13(10,11)12-6-5-8/h7H,2-6,8-9H2,1H3,(H,10,11)
InChIKeyVKXWZTHNHBBHOE-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.62
Rot. Bonds7

About 2-aminoethoxy(1-aminopentyl)phosphinic acid

2-aminoethoxy(1-aminopentyl)phosphinic acid (PubChem CID 174932850) has the molecular formula C7H19N2O3P and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-aminoethoxy(1-aminopentyl)phosphinic acid.

Molecular Properties

Compound Name2-aminoethoxy(1-aminopentyl)phosphinic acid
PubChem CID174932850
Molecular FormulaC7H19N2O3P
Molecular Weight210.21 g/mol
Exact Mass210.11
IUPAC Name2-aminoethoxy(1-aminopentyl)phosphinic acid
SMILESCCCCC(N)P(=O)(O)OCCN
InChIInChI=1S/C7H19N2O3P/c1-2-3-4-7(9)13(10,11)12-6-5-8/h7H,2-6,8-9H2,1H3,(H,10,11)
InChIKeyVKXWZTHNHBBHOE-UHFFFAOYSA-N
XLogP0.62
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-aminopropyl(propoxy)phosphinic acid;butane
CID 88813664
bis(2-aminoethyl) butyl phosphate
CID 3023662
2-aminoethyl [(2S)-1-hydroxy-2-pentoxyoctan-3-yl] hydrogen phosphate
CID 87151483
[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid
CID 87375656
2-aminoethoxy(octadecanoyl)phosphinic acid
CID 175563947
hexan-2-amine;phosphoric acid;propane
CID 175129773
didecyl hydrogen phosphate;dodecane-1,1-diamine
CID 173350501
6-aminohexyl hexadecyl hydrogen phosphate
CID 71341995
2-aminoethyl (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate
CID 24802202
2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate
CID 163410356
2-aminoethyl [5-ethyl-7-(2-ethylhexyl)octadecan-7-yl] hydrogen phosphate;ethane-1,2-diol
CID 174396852
bis(6-methylheptyl) hydrogen phosphate;tetradecan-1-amine
CID 175403528

Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy(1-aminopentyl)phosphinic acid?
The IUPAC name of 2-aminoethoxy(1-aminopentyl)phosphinic acid (CID 174932850) is 2-aminoethoxy(1-aminopentyl)phosphinic acid.
What is the SMILES notation for 2-aminoethoxy(1-aminopentyl)phosphinic acid?
The canonical SMILES for 2-aminoethoxy(1-aminopentyl)phosphinic acid is CCCCC(N)P(=O)(O)OCCN.
What is the InChIKey of 2-aminoethoxy(1-aminopentyl)phosphinic acid?
The InChIKey is VKXWZTHNHBBHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2O3P/c1-2-3-4-7(9)13(10,11)12-6-5-8/h7H,2-6,8-9H2,1H3,(H,10,11).
What are the key properties of 2-aminoethoxy(1-aminopentyl)phosphinic acid?
2-aminoethoxy(1-aminopentyl)phosphinic acid has a molecular weight of 210.21 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy(1-aminopentyl)phosphinic acid is sourced from PubChem (CID 174932850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).