azane;pentylphosphonic acid

C5H19N2O3P — CID 173073704

IUPACazane;pentylphosphonic acid
SMILESCCCCCP(=O)(O)O.N.N
InChIInChI=1S/C5H13O3P.2H3N/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H2,6,7,8);2*1H3
InChIKeyUPOIBZCGJILPJT-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.68
Rot. Bonds4

About azane;pentylphosphonic acid

azane;pentylphosphonic acid (PubChem CID 173073704) has the molecular formula C5H19N2O3P and a molecular weight of 186.19 g/mol. Its IUPAC name is azane;pentylphosphonic acid.

Molecular Properties

Compound Nameazane;pentylphosphonic acid
PubChem CID173073704
Molecular FormulaC5H19N2O3P
Molecular Weight186.19 g/mol
Exact Mass186.11
IUPAC Nameazane;pentylphosphonic acid
SMILESCCCCCP(=O)(O)O.N.N
InChIInChI=1S/C5H13O3P.2H3N/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H2,6,7,8);2*1H3
InChIKeyUPOIBZCGJILPJT-UHFFFAOYSA-N
XLogP1.68
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

hexylphosphonic acid;octylphosphonic acid
CID 155346901
octadecylphosphonic acid;zirconium
CID 87308115
dodecylphosphonic acid;phosphoric acid
CID 88779225
CID 86733794
CID 86733794
potassium;hexadecylphosphonic acid;hydride
CID 175356287
butylphosphonic acid;neodymium
CID 134499527
potassium;butylphosphonic acid;hydride
CID 174388690
dimethyl-octadecyl-(12-phosphonododecyl)azanium bromide
CID 135367903
5-phosphonopentylphosphonic acid
CID 2773804
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046

Frequently Asked Questions

What is the IUPAC name of azane;pentylphosphonic acid?
The IUPAC name of azane;pentylphosphonic acid (CID 173073704) is azane;pentylphosphonic acid.
What is the SMILES notation for azane;pentylphosphonic acid?
The canonical SMILES for azane;pentylphosphonic acid is CCCCCP(=O)(O)O.N.N.
What is the InChIKey of azane;pentylphosphonic acid?
The InChIKey is UPOIBZCGJILPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P.2H3N/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H2,6,7,8);2*1H3.
What are the key properties of azane;pentylphosphonic acid?
azane;pentylphosphonic acid has a molecular weight of 186.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pentylphosphonic acid is sourced from PubChem (CID 173073704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).