ethoxy-[3-(octylamino)propyl]phosphinic acid

C13H30NO3P — CID 155661215

IUPACethoxy-[3-(octylamino)propyl]phosphinic acid
SMILESCCCCCCCCNCCCP(=O)(O)OCC
InChIInChI=1S/C13H30NO3P/c1-3-5-6-7-8-9-11-14-12-10-13-18(15,16)17-4-2/h14H,3-13H2,1-2H3,(H,15,16)
InChIKeyUIZDYIPMSAJFGK-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.55
Rot. Bonds13

About ethoxy-[3-(octylamino)propyl]phosphinic acid

ethoxy-[3-(octylamino)propyl]phosphinic acid (PubChem CID 155661215) has the molecular formula C13H30NO3P and a molecular weight of 279.36 g/mol. Its IUPAC name is ethoxy-[3-(octylamino)propyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[3-(octylamino)propyl]phosphinic acid
PubChem CID155661215
Molecular FormulaC13H30NO3P
Molecular Weight279.36 g/mol
Exact Mass279.20
IUPAC Nameethoxy-[3-(octylamino)propyl]phosphinic acid
SMILESCCCCCCCCNCCCP(=O)(O)OCC
InChIInChI=1S/C13H30NO3P/c1-3-5-6-7-8-9-11-14-12-10-13-18(15,16)17-4-2/h14H,3-13H2,1-2H3,(H,15,16)
InChIKeyUIZDYIPMSAJFGK-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
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

6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
CID 155661193
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
methoxy-[5-(propylamino)pentyl]phosphinic acid
CID 155661203
2-(pentylamino)ethyl dihydrogen phosphate
CID 87921283
carbonic acid;N-hexylhexan-1-amine
CID 174995198
butyl(hexoxy)phosphinic acid
CID 15271220

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-(octylamino)propyl]phosphinic acid?
The IUPAC name of ethoxy-[3-(octylamino)propyl]phosphinic acid (CID 155661215) is ethoxy-[3-(octylamino)propyl]phosphinic acid.
What is the SMILES notation for ethoxy-[3-(octylamino)propyl]phosphinic acid?
The canonical SMILES for ethoxy-[3-(octylamino)propyl]phosphinic acid is CCCCCCCCNCCCP(=O)(O)OCC.
What is the InChIKey of ethoxy-[3-(octylamino)propyl]phosphinic acid?
The InChIKey is UIZDYIPMSAJFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO3P/c1-3-5-6-7-8-9-11-14-12-10-13-18(15,16)17-4-2/h14H,3-13H2,1-2H3,(H,15,16).
What are the key properties of ethoxy-[3-(octylamino)propyl]phosphinic acid?
ethoxy-[3-(octylamino)propyl]phosphinic acid has a molecular weight of 279.36 g/mol, XLogP of 3.55, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-(octylamino)propyl]phosphinic acid is sourced from PubChem (CID 155661215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).