[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium

C3H11N3O3P+ — CID 146807704

IUPAC[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium
SMILESCN(C)C(N)=N[P+](O)(O)O
InChIInChI=1S/C3H11N3O3P/c1-6(2)3(4)5-10(7,8)9/h7-9H,1-2H3,(H2,4,5)/q+1
InChIKeyAIBCHRHCNQPCHP-UHFFFAOYSA-N
MW168.11 g/mol
LogP-1.48
Rot. Bonds1

About [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium

[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium (PubChem CID 146807704) has the molecular formula C3H11N3O3P+ and a molecular weight of 168.11 g/mol. Its IUPAC name is [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium.

Molecular Properties

Compound Name[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium
PubChem CID146807704
Molecular FormulaC3H11N3O3P+
Molecular Weight168.11 g/mol
Exact Mass168.05
IUPAC Name[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium
SMILESCN(C)C(N)=N[P+](O)(O)O
InChIInChI=1S/C3H11N3O3P/c1-6(2)3(4)5-10(7,8)9/h7-9H,1-2H3,(H2,4,5)/q+1
InChIKeyAIBCHRHCNQPCHP-UHFFFAOYSA-N
XLogP-1.48
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium?
The IUPAC name of [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium (CID 146807704) is [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium.
What is the SMILES notation for [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium?
The canonical SMILES for [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium is CN(C)C(N)=N[P+](O)(O)O.
What is the InChIKey of [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium?
The InChIKey is AIBCHRHCNQPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O3P/c1-6(2)3(4)5-10(7,8)9/h7-9H,1-2H3,(H2,4,5)/q+1.
What are the key properties of [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium?
[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium has a molecular weight of 168.11 g/mol, XLogP of -1.48, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium is sourced from PubChem (CID 146807704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).