6-(butylamino)hexyl-ethoxyphosphinic acid

C12H28NO3P — CID 155661164

IUPAC6-(butylamino)hexyl-ethoxyphosphinic acid
SMILESCCCCNCCCCCCP(=O)(O)OCC
InChIInChI=1S/C12H28NO3P/c1-3-5-10-13-11-8-6-7-9-12-17(14,15)16-4-2/h13H,3-12H2,1-2H3,(H,14,15)
InChIKeyNVFBCNWYZUQJII-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.16
Rot. Bonds12

About 6-(butylamino)hexyl-ethoxyphosphinic acid

6-(butylamino)hexyl-ethoxyphosphinic acid (PubChem CID 155661164) has the molecular formula C12H28NO3P and a molecular weight of 265.33 g/mol. Its IUPAC name is 6-(butylamino)hexyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name6-(butylamino)hexyl-ethoxyphosphinic acid
PubChem CID155661164
Molecular FormulaC12H28NO3P
Molecular Weight265.33 g/mol
Exact Mass265.18
IUPAC Name6-(butylamino)hexyl-ethoxyphosphinic acid
SMILESCCCCNCCCCCCP(=O)(O)OCC
InChIInChI=1S/C12H28NO3P/c1-3-5-10-13-11-8-6-7-9-12-17(14,15)16-4-2/h13H,3-12H2,1-2H3,(H,14,15)
InChIKeyNVFBCNWYZUQJII-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.16
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

ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
CID 155661193
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
methoxy-[5-(propylamino)pentyl]phosphinic acid
CID 155661203
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
10-[ethoxy(hydroxy)phosphoryl]decanoic acid
CID 22016460
heptoxy(octadecyl)phosphinic acid
CID 139947141
decoxy(decyl)phosphinic acid;iron
CID 87601920

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)hexyl-ethoxyphosphinic acid?
The IUPAC name of 6-(butylamino)hexyl-ethoxyphosphinic acid (CID 155661164) is 6-(butylamino)hexyl-ethoxyphosphinic acid.
What is the SMILES notation for 6-(butylamino)hexyl-ethoxyphosphinic acid?
The canonical SMILES for 6-(butylamino)hexyl-ethoxyphosphinic acid is CCCCNCCCCCCP(=O)(O)OCC.
What is the InChIKey of 6-(butylamino)hexyl-ethoxyphosphinic acid?
The InChIKey is NVFBCNWYZUQJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO3P/c1-3-5-10-13-11-8-6-7-9-12-17(14,15)16-4-2/h13H,3-12H2,1-2H3,(H,14,15).
What are the key properties of 6-(butylamino)hexyl-ethoxyphosphinic acid?
6-(butylamino)hexyl-ethoxyphosphinic acid has a molecular weight of 265.33 g/mol, XLogP of 3.16, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)hexyl-ethoxyphosphinic acid is sourced from PubChem (CID 155661164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).