N-methanidylethanamine;tungsten

C3H7NW3-2 — CID 146901688

IUPACN-methanidylethanamine;tungsten
SMILES[CH2-]N[CH-]C.[W].[W].[W]
InChIInChI=1S/C3H7N.3W/c1-3-4-2;;;/h3-4H,2H2,1H3;;;/q-2;;;
InChIKeyCTIQRRCGUZPQMG-UHFFFAOYSA-N
MW608.62 g/mol
LogP0.54
Rot. Bonds1

About N-methanidylethanamine;tungsten

N-methanidylethanamine;tungsten (PubChem CID 146901688) has the molecular formula C3H7NW3-2 and a molecular weight of 608.62 g/mol. Its IUPAC name is N-methanidylethanamine;tungsten.

Molecular Properties

Compound NameN-methanidylethanamine;tungsten
PubChem CID146901688
Molecular FormulaC3H7NW3-2
Molecular Weight608.62 g/mol
Exact Mass608.91
IUPAC NameN-methanidylethanamine;tungsten
SMILES[CH2-]N[CH-]C.[W].[W].[W]
InChIInChI=1S/C3H7N.3W/c1-3-4-2;;;/h3-4H,2H2,1H3;;;/q-2;;;
InChIKeyCTIQRRCGUZPQMG-UHFFFAOYSA-N
XLogP0.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.62
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methanidylethanamine;tungsten?
The IUPAC name of N-methanidylethanamine;tungsten (CID 146901688) is N-methanidylethanamine;tungsten.
What is the SMILES notation for N-methanidylethanamine;tungsten?
The canonical SMILES for N-methanidylethanamine;tungsten is [CH2-]N[CH-]C.[W].[W].[W].
What is the InChIKey of N-methanidylethanamine;tungsten?
The InChIKey is CTIQRRCGUZPQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.3W/c1-3-4-2;;;/h3-4H,2H2,1H3;;;/q-2;;;.
What are the key properties of N-methanidylethanamine;tungsten?
N-methanidylethanamine;tungsten has a molecular weight of 608.62 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidylethanamine;tungsten is sourced from PubChem (CID 146901688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).