dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine

C8H21NO3P+ — CID 139533112

IUPACdihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCCN(C(C)C)C(C)C.O=[P+](O)O
InChIInChI=1S/C8H19N.HO3P/c1-6-9(7(2)3)8(4)5;1-4(2)3/h7-8H,6H2,1-5H3;(H-,1,2,3)/p+1
InChIKeyQFMRBXASNDSGPJ-UHFFFAOYSA-O
MW210.23 g/mol
LogP1.75
Rot. Bonds3

About dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine

dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine (PubChem CID 139533112) has the molecular formula C8H21NO3P+ and a molecular weight of 210.23 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
PubChem CID139533112
Molecular FormulaC8H21NO3P+
Molecular Weight210.23 g/mol
Exact Mass210.13
IUPAC Namedihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCCN(C(C)C)C(C)C.O=[P+](O)O
InChIInChI=1S/C8H19N.HO3P/c1-6-9(7(2)3)8(4)5;1-4(2)3/h7-8H,6H2,1-5H3;(H-,1,2,3)/p+1
InChIKeyQFMRBXASNDSGPJ-UHFFFAOYSA-O
XLogP1.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine (CID 139533112) is dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine is CCN(C(C)C)C(C)C.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine?
The InChIKey is QFMRBXASNDSGPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N.HO3P/c1-6-9(7(2)3)8(4)5;1-4(2)3/h7-8H,6H2,1-5H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine?
dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine has a molecular weight of 210.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 139533112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).