N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)

C10H13NW — CID 176862930

IUPACN-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)
SMILES[CH2-]CN([CH2-])c1ccccc1C.[W+2]
InChIInChI=1S/C10H13N.W/c1-4-11(3)10-8-6-5-7-9(10)2;/h5-8H,1,3-4H2,2H3;/q-2;+2
InChIKeyMNPLTDZEJPHGAT-UHFFFAOYSA-N
MW331.06 g/mol
LogP2.42
Rot. Bonds2

About N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)

N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+) (PubChem CID 176862930) has the molecular formula C10H13NW and a molecular weight of 331.06 g/mol. Its IUPAC name is N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+).

Molecular Properties

Compound NameN-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)
PubChem CID176862930
Molecular FormulaC10H13NW
Molecular Weight331.06 g/mol
Exact Mass331.06
IUPAC NameN-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)
SMILES[CH2-]CN([CH2-])c1ccccc1C.[W+2]
InChIInChI=1S/C10H13N.W/c1-4-11(3)10-8-6-5-7-9(10)2;/h5-8H,1,3-4H2,2H3;/q-2;+2
InChIKeyMNPLTDZEJPHGAT-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
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-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)?
The IUPAC name of N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+) (CID 176862930) is N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+).
What is the SMILES notation for N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)?
The canonical SMILES for N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+) is [CH2-]CN([CH2-])c1ccccc1C.[W+2].
What is the InChIKey of N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)?
The InChIKey is MNPLTDZEJPHGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.W/c1-4-11(3)10-8-6-5-7-9(10)2;/h5-8H,1,3-4H2,2H3;/q-2;+2.
What are the key properties of N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)?
N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+) has a molecular weight of 331.06 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+) is sourced from PubChem (CID 176862930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).