bis(4-aminobutan-2-yloxy)-oxophosphanium

C8H20N2O3P+ — CID 88803000

IUPACbis(4-aminobutan-2-yloxy)-oxophosphanium
SMILESCC(CCN)O[P+](=O)OC(C)CCN
InChIInChI=1S/C8H20N2O3P/c1-7(3-5-9)12-14(11)13-8(2)4-6-10/h7-8H,3-6,9-10H2,1-2H3/q+1
InChIKeyALHQMZLBURQZMS-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.15
Rot. Bonds8

About bis(4-aminobutan-2-yloxy)-oxophosphanium

bis(4-aminobutan-2-yloxy)-oxophosphanium (PubChem CID 88803000) has the molecular formula C8H20N2O3P+ and a molecular weight of 223.23 g/mol. Its IUPAC name is bis(4-aminobutan-2-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(4-aminobutan-2-yloxy)-oxophosphanium
PubChem CID88803000
Molecular FormulaC8H20N2O3P+
Molecular Weight223.23 g/mol
Exact Mass223.12
IUPAC Namebis(4-aminobutan-2-yloxy)-oxophosphanium
SMILESCC(CCN)O[P+](=O)OC(C)CCN
InChIInChI=1S/C8H20N2O3P/c1-7(3-5-9)12-14(11)13-8(2)4-6-10/h7-8H,3-6,9-10H2,1-2H3/q+1
InChIKeyALHQMZLBURQZMS-UHFFFAOYSA-N
XLogP1.15
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-aminobutan-2-yloxy)-oxophosphanium?
The IUPAC name of bis(4-aminobutan-2-yloxy)-oxophosphanium (CID 88803000) is bis(4-aminobutan-2-yloxy)-oxophosphanium.
What is the SMILES notation for bis(4-aminobutan-2-yloxy)-oxophosphanium?
The canonical SMILES for bis(4-aminobutan-2-yloxy)-oxophosphanium is CC(CCN)O[P+](=O)OC(C)CCN.
What is the InChIKey of bis(4-aminobutan-2-yloxy)-oxophosphanium?
The InChIKey is ALHQMZLBURQZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3P/c1-7(3-5-9)12-14(11)13-8(2)4-6-10/h7-8H,3-6,9-10H2,1-2H3/q+1.
What are the key properties of bis(4-aminobutan-2-yloxy)-oxophosphanium?
bis(4-aminobutan-2-yloxy)-oxophosphanium has a molecular weight of 223.23 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-aminobutan-2-yloxy)-oxophosphanium is sourced from PubChem (CID 88803000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).