dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine

C5H15N3O3P+ — CID 110187264

IUPACdihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine
SMILESO=[P+](O)O.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C5H13N3.HO3P/c1-7(2)5(6)8(3)4;1-4(2)3/h6H,1-4H3;(H-,1,2,3)/p+1
InChIKeyCAUKOXVWJLASJF-UHFFFAOYSA-O
MW196.17 g/mol
LogP-0.33
Rot. Bonds

About dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine

dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine (PubChem CID 110187264) has the molecular formula C5H15N3O3P+ and a molecular weight of 196.17 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine
PubChem CID110187264
Molecular FormulaC5H15N3O3P+
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Namedihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine
SMILESO=[P+](O)O.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C5H13N3.HO3P/c1-7(2)5(6)8(3)4;1-4(2)3/h6H,1-4H3;(H-,1,2,3)/p+1
InChIKeyCAUKOXVWJLASJF-UHFFFAOYSA-O
XLogP-0.33
TPSA87.86 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetramethylguanidine azide
CID 131724047
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
lithium;dihydroxy(oxo)phosphanium;ethane
CID 161092512
2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
CID 88765663
CID 175212553
CID 175212553
CID 172849342
CID 172849342
dihydroxy(oxo)phosphanium;samarium
CID 161079463
bis(dihydroxy(oxo)phosphanium);technetium-99
CID 6328361
cadmium(2+);dihydroxy(oxo)phosphanium
CID 22506351
CID 161252103
CID 161252103
dihydroxy(oxo)phosphanium;dihydrochloride
CID 172680217
bis(dihydroxy(oxo)phosphanium);phosphane
CID 172799064

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine?
The IUPAC name of dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine (CID 110187264) is dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine?
The canonical SMILES for dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine is O=[P+](O)O.[H]N=C(N(C)C)N(C)C.
What is the InChIKey of dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine?
The InChIKey is CAUKOXVWJLASJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N3.HO3P/c1-7(2)5(6)8(3)4;1-4(2)3/h6H,1-4H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine?
dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine has a molecular weight of 196.17 g/mol, XLogP of -0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 110187264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).