benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium

C11H16N2Y-2 — CID 59954315

IUPACbenzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium
SMILES[CH2-]N(C)/C(C)=N/C.[Y].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H11N2.Y/c1-2-4-6-5-3-1;1-5(6-2)7(3)4;/h1-5H;3H2,1-2,4H3;/q2*-1;/b;6-5+;
InChIKeyOWZVVJQONKCMJC-AUNBPGBOSA-N
MW265.17 g/mol
LogP2.24
Rot. Bonds

About benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium

benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium (PubChem CID 59954315) has the molecular formula C11H16N2Y-2 and a molecular weight of 265.17 g/mol. Its IUPAC name is benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium.

Molecular Properties

Compound Namebenzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium
PubChem CID59954315
Molecular FormulaC11H16N2Y-2
Molecular Weight265.17 g/mol
Exact Mass265.04
IUPAC Namebenzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium
SMILES[CH2-]N(C)/C(C)=N/C.[Y].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H11N2.Y/c1-2-4-6-5-3-1;1-5(6-2)7(3)4;/h1-5H;3H2,1-2,4H3;/q2*-1;/b;6-5+;
InChIKeyOWZVVJQONKCMJC-AUNBPGBOSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium?
The IUPAC name of benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium (CID 59954315) is benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium.
What is the SMILES notation for benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium?
The canonical SMILES for benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium is [CH2-]N(C)/C(C)=N/C.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium?
The InChIKey is OWZVVJQONKCMJC-AUNBPGBOSA-N. The full InChI is InChI=1S/C6H5.C5H11N2.Y/c1-2-4-6-5-3-1;1-5(6-2)7(3)4;/h1-5H;3H2,1-2,4H3;/q2*-1;/b;6-5+;.
What are the key properties of benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium?
benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium has a molecular weight of 265.17 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methanidyl-N,N'-dimethylethanimidamide;yttrium is sourced from PubChem (CID 59954315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).