ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid

C11H26NO4P — CID 155661193

IUPACethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
SMILESCCOCCCNCCCCP(=O)(O)OCC
InChIInChI=1S/C11H26NO4P/c1-3-15-10-7-9-12-8-5-6-11-17(13,14)16-4-2/h12H,3-11H2,1-2H3,(H,13,14)
InChIKeyIXGJPDAPOFAQOY-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.00
Rot. Bonds12

About ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid

ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid (PubChem CID 155661193) has the molecular formula C11H26NO4P and a molecular weight of 267.31 g/mol. Its IUPAC name is ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
PubChem CID155661193
Molecular FormulaC11H26NO4P
Molecular Weight267.31 g/mol
Exact Mass267.16
IUPAC Nameethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
SMILESCCOCCCNCCCCP(=O)(O)OCC
InChIInChI=1S/C11H26NO4P/c1-3-15-10-7-9-12-8-5-6-11-17(13,14)16-4-2/h12H,3-11H2,1-2H3,(H,13,14)
InChIKeyIXGJPDAPOFAQOY-UHFFFAOYSA-N
XLogP2.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
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

6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid
CID 155661196
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
methoxy-[5-(propylamino)pentyl]phosphinic acid
CID 155661203
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492
7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
4-(3-ethoxypropylamino)butyl hydrogen sulfate
CID 153323851
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
6-(3-ethoxypropylamino)hexane-1-sulfonic acid
CID 151406312

Frequently Asked Questions

What is the IUPAC name of ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid?
The IUPAC name of ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid (CID 155661193) is ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid.
What is the SMILES notation for ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid?
The canonical SMILES for ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid is CCOCCCNCCCCP(=O)(O)OCC.
What is the InChIKey of ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid?
The InChIKey is IXGJPDAPOFAQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO4P/c1-3-15-10-7-9-12-8-5-6-11-17(13,14)16-4-2/h12H,3-11H2,1-2H3,(H,13,14).
What are the key properties of ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid?
ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid has a molecular weight of 267.31 g/mol, XLogP of 2.00, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid is sourced from PubChem (CID 155661193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).