azane;butane;cyclobutane;dihydroxy(oxo)phosphanium

C8H26N2O3P+ — CID 67895311

IUPACazane;butane;cyclobutane;dihydroxy(oxo)phosphanium
SMILESC1CCC1.CCCC.N.N.O=[P+](O)O
InChIInChI=1S/C4H8.C4H10.2H3N.HO3P/c1-2-4-3-1;1-3-4-2;;;1-4(2)3/h1-4H2;3-4H2,1-2H3;2*1H3;(H-,1,2,3)/p+1
InChIKeyDKJHTWDKLYOZKT-UHFFFAOYSA-O
MW229.28 g/mol
LogP3.32
Rot. Bonds1

About azane;butane;cyclobutane;dihydroxy(oxo)phosphanium

azane;butane;cyclobutane;dihydroxy(oxo)phosphanium (PubChem CID 67895311) has the molecular formula C8H26N2O3P+ and a molecular weight of 229.28 g/mol. Its IUPAC name is azane;butane;cyclobutane;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Nameazane;butane;cyclobutane;dihydroxy(oxo)phosphanium
PubChem CID67895311
Molecular FormulaC8H26N2O3P+
Molecular Weight229.28 g/mol
Exact Mass229.17
IUPAC Nameazane;butane;cyclobutane;dihydroxy(oxo)phosphanium
SMILESC1CCC1.CCCC.N.N.O=[P+](O)O
InChIInChI=1S/C4H8.C4H10.2H3N.HO3P/c1-2-4-3-1;1-3-4-2;;;1-4(2)3/h1-4H2;3-4H2,1-2H3;2*1H3;(H-,1,2,3)/p+1
InChIKeyDKJHTWDKLYOZKT-UHFFFAOYSA-O
XLogP3.32
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;butane;cyclobutane;dihydroxy(oxo)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;butane;cyclobutane;dihydroxy(oxo)phosphanium?
The IUPAC name of azane;butane;cyclobutane;dihydroxy(oxo)phosphanium (CID 67895311) is azane;butane;cyclobutane;dihydroxy(oxo)phosphanium.
What is the SMILES notation for azane;butane;cyclobutane;dihydroxy(oxo)phosphanium?
The canonical SMILES for azane;butane;cyclobutane;dihydroxy(oxo)phosphanium is C1CCC1.CCCC.N.N.O=[P+](O)O.
What is the InChIKey of azane;butane;cyclobutane;dihydroxy(oxo)phosphanium?
The InChIKey is DKJHTWDKLYOZKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8.C4H10.2H3N.HO3P/c1-2-4-3-1;1-3-4-2;;;1-4(2)3/h1-4H2;3-4H2,1-2H3;2*1H3;(H-,1,2,3)/p+1.
What are the key properties of azane;butane;cyclobutane;dihydroxy(oxo)phosphanium?
azane;butane;cyclobutane;dihydroxy(oxo)phosphanium has a molecular weight of 229.28 g/mol, XLogP of 3.32, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butane;cyclobutane;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 67895311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).