[2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid

C10H24NO5P — CID 87385300

IUPAC[2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid
SMILESCCC(CC)(CP(=O)(O)O)OCCOCCN
InChIInChI=1S/C10H24NO5P/c1-3-10(4-2,9-17(12,13)14)16-8-7-15-6-5-11/h3-9,11H2,1-2H3,(H2,12,13,14)
InChIKeyTZYBWKIJZJVXIM-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.71
Rot. Bonds10

About [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid

[2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid (PubChem CID 87385300) has the molecular formula C10H24NO5P and a molecular weight of 269.28 g/mol. Its IUPAC name is [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid.

Molecular Properties

Compound Name[2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid
PubChem CID87385300
Molecular FormulaC10H24NO5P
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name[2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid
SMILESCCC(CC)(CP(=O)(O)O)OCCOCCN
InChIInChI=1S/C10H24NO5P/c1-3-10(4-2,9-17(12,13)14)16-8-7-15-6-5-11/h3-9,11H2,1-2H3,(H2,12,13,14)
InChIKeyTZYBWKIJZJVXIM-UHFFFAOYSA-N
XLogP0.71
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482466
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
CID 129040767
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
CID 176847062
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine
CID 118166069
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
CID 155605637
O-[2-[2-[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]ethyl]hydroxylamine
CID 129065318
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-methylpropanamide
CID 168897621

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid?
The IUPAC name of [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid (CID 87385300) is [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid.
What is the SMILES notation for [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid?
The canonical SMILES for [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid is CCC(CC)(CP(=O)(O)O)OCCOCCN.
What is the InChIKey of [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid?
The InChIKey is TZYBWKIJZJVXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO5P/c1-3-10(4-2,9-17(12,13)14)16-8-7-15-6-5-11/h3-9,11H2,1-2H3,(H2,12,13,14).
What are the key properties of [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid?
[2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid has a molecular weight of 269.28 g/mol, XLogP of 0.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-aminoethoxy)ethoxy]-2-ethylbutyl]phosphonic acid is sourced from PubChem (CID 87385300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).