amino-methyl-[2-(methylamino)ethylimino]phosphanium

C4H13N3P+ — CID 89345041

IUPACamino-methyl-[2-(methylamino)ethylimino]phosphanium
SMILESCNCC/N=[P+](\C)N
InChIInChI=1S/C4H13N3P/c1-6-3-4-7-8(2)5/h6H,3-4H2,1-2H3,(H2,5,7)/q+1
InChIKeyIITAJGKONAAALI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.37
Rot. Bonds3

About amino-methyl-[2-(methylamino)ethylimino]phosphanium

amino-methyl-[2-(methylamino)ethylimino]phosphanium (PubChem CID 89345041) has the molecular formula C4H13N3P+ and a molecular weight of 134.14 g/mol. Its IUPAC name is amino-methyl-[2-(methylamino)ethylimino]phosphanium.

Molecular Properties

Compound Nameamino-methyl-[2-(methylamino)ethylimino]phosphanium
PubChem CID89345041
Molecular FormulaC4H13N3P+
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Nameamino-methyl-[2-(methylamino)ethylimino]phosphanium
SMILESCNCC/N=[P+](\C)N
InChIInChI=1S/C4H13N3P/c1-6-3-4-7-8(2)5/h6H,3-4H2,1-2H3,(H2,5,7)/q+1
InChIKeyIITAJGKONAAALI-UHFFFAOYSA-N
XLogP0.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-methyl-[2-(methylamino)ethylimino]phosphanium?
The IUPAC name of amino-methyl-[2-(methylamino)ethylimino]phosphanium (CID 89345041) is amino-methyl-[2-(methylamino)ethylimino]phosphanium.
What is the SMILES notation for amino-methyl-[2-(methylamino)ethylimino]phosphanium?
The canonical SMILES for amino-methyl-[2-(methylamino)ethylimino]phosphanium is CNCC/N=[P+](\C)N.
What is the InChIKey of amino-methyl-[2-(methylamino)ethylimino]phosphanium?
The InChIKey is IITAJGKONAAALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3P/c1-6-3-4-7-8(2)5/h6H,3-4H2,1-2H3,(H2,5,7)/q+1.
What are the key properties of amino-methyl-[2-(methylamino)ethylimino]phosphanium?
amino-methyl-[2-(methylamino)ethylimino]phosphanium has a molecular weight of 134.14 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-methyl-[2-(methylamino)ethylimino]phosphanium is sourced from PubChem (CID 89345041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).