[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium

C6H15NO3P+ — CID 88813225

IUPAC[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium
SMILESCC(C)N(O[P+](=O)O)C(C)C
InChIInChI=1S/C6H14NO3P/c1-5(2)7(6(3)4)10-11(8)9/h5-6H,1-4H3/p+1
InChIKeyNZNJUIVSEQJLDH-UHFFFAOYSA-O
MW180.16 g/mol
LogP1.69
Rot. Bonds4

About [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium

[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium (PubChem CID 88813225) has the molecular formula C6H15NO3P+ and a molecular weight of 180.16 g/mol. Its IUPAC name is [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium
PubChem CID88813225
Molecular FormulaC6H15NO3P+
Molecular Weight180.16 g/mol
Exact Mass180.08
IUPAC Name[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium
SMILESCC(C)N(O[P+](=O)O)C(C)C
InChIInChI=1S/C6H14NO3P/c1-5(2)7(6(3)4)10-11(8)9/h5-6H,1-4H3/p+1
InChIKeyNZNJUIVSEQJLDH-UHFFFAOYSA-O
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[di(propan-2-yl)amino]-hydroxy-oxophosphanium
CID 71340640
dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol
CID 22160999
[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium
CID 57227498
[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
CID 88613904
dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
CID 139533112
1-carboxyethoxy-hydroxy-oxophosphanium
CID 88801828
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol
CID 88831056
hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
CID 87604584
1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
CID 87721898
[di(propan-2-yl)amino]oxymethanol
CID 147473985
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium
CID 175847272

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium?
The IUPAC name of [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium (CID 88813225) is [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium is CC(C)N(O[P+](=O)O)C(C)C.
What is the InChIKey of [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium?
The InChIKey is NZNJUIVSEQJLDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14NO3P/c1-5(2)7(6(3)4)10-11(8)9/h5-6H,1-4H3/p+1.
What are the key properties of [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium?
[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium has a molecular weight of 180.16 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88813225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).