hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium

C4H11N3O2P+ — CID 170217527

IUPAChydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium
SMILESC/N=C(\N)N(C)C[P+](=O)O
InChIInChI=1S/C4H10N3O2P/c1-6-4(5)7(2)3-10(8)9/h3H2,1-2H3,(H2-,5,6,8,9)/p+1
InChIKeyAAEQYKODWMWPHI-UHFFFAOYSA-O
MW164.13 g/mol
LogP-0.45
Rot. Bonds2

About hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium

hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium (PubChem CID 170217527) has the molecular formula C4H11N3O2P+ and a molecular weight of 164.13 g/mol. Its IUPAC name is hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium
PubChem CID170217527
Molecular FormulaC4H11N3O2P+
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Namehydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium
SMILESC/N=C(\N)N(C)C[P+](=O)O
InChIInChI=1S/C4H10N3O2P/c1-6-4(5)7(2)3-10(8)9/h3H2,1-2H3,(H2-,5,6,8,9)/p+1
InChIKeyAAEQYKODWMWPHI-UHFFFAOYSA-O
XLogP-0.45
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium?
The IUPAC name of hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium (CID 170217527) is hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium?
The canonical SMILES for hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium is C/N=C(\N)N(C)C[P+](=O)O.
What is the InChIKey of hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium?
The InChIKey is AAEQYKODWMWPHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N3O2P/c1-6-4(5)7(2)3-10(8)9/h3H2,1-2H3,(H2-,5,6,8,9)/p+1.
What are the key properties of hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium?
hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium has a molecular weight of 164.13 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium is sourced from PubChem (CID 170217527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).