bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)

C18H24MoN2 — CID 21399652

IUPACbis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)
SMILES[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Mo+2]
InChIInChI=1S/2C9H12N.Mo/c2*1-8-6-4-5-7-9(8)10(2)3;/h2*4-7H,1H2,2-3H3;/q2*-1;+2
InChIKeyBGXCPQDCGTXCOB-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.87
Rot. Bonds2

About bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)

bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+) (PubChem CID 21399652) has the molecular formula C18H24MoN2 and a molecular weight of 364.34 g/mol. Its IUPAC name is bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+).

Molecular Properties

Compound Namebis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)
PubChem CID21399652
Molecular FormulaC18H24MoN2
Molecular Weight364.34 g/mol
Exact Mass366.10
IUPAC Namebis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)
SMILES[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Mo+2]
InChIInChI=1S/2C9H12N.Mo/c2*1-8-6-4-5-7-9(8)10(2)3;/h2*4-7H,1H2,2-3H3;/q2*-1;+2
InChIKeyBGXCPQDCGTXCOB-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)?
The IUPAC name of bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+) (CID 21399652) is bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+).
What is the SMILES notation for bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)?
The canonical SMILES for bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+) is [CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Mo+2].
What is the InChIKey of bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)?
The InChIKey is BGXCPQDCGTXCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N.Mo/c2*1-8-6-4-5-7-9(8)10(2)3;/h2*4-7H,1H2,2-3H3;/q2*-1;+2.
What are the key properties of bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)?
bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+) has a molecular weight of 364.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+) is sourced from PubChem (CID 21399652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).