bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)

C36H48Mn2N4 — CID 139264400

IUPACbis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)
SMILES[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Mn+2].[Mn+2]
InChIInChI=1S/4C9H12N.2Mn/c4*1-8-6-4-5-7-9(8)10(2)3;;/h4*4-7H,1H2,2-3H3;;/q4*-1;2*+2
InChIKeyILRXGOZRRHPKQL-UHFFFAOYSA-N
MW646.68 g/mol
LogP7.73
Rot. Bonds4

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

bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline) (PubChem CID 139264400) has the molecular formula C36H48Mn2N4 and a molecular weight of 646.68 g/mol. Its IUPAC name is bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline).

Molecular Properties

Compound Namebis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)
PubChem CID139264400
Molecular FormulaC36H48Mn2N4
Molecular Weight646.68 g/mol
Exact Mass646.26
IUPAC Namebis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)
SMILES[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Mn+2].[Mn+2]
InChIInChI=1S/4C9H12N.2Mn/c4*1-8-6-4-5-7-9(8)10(2)3;;/h4*4-7H,1H2,2-3H3;;/q4*-1;2*+2
InChIKeyILRXGOZRRHPKQL-UHFFFAOYSA-N
XLogP7.73
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.68
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)
CID 21399652
CID 71507870
CID 71507870
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-methanidyl-N,N-dimethylaniline;scandium
CID 87356853
bis(2-methanidyl-N,N-dimethylaniline);methylcyclopentane;scandium(3+)
CID 164702373
CID 23659154
CID 23659154
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
bis[2,6-bis(dimethylamino)phenyl]tin
CID 11282229
2-(cyclopropylmethyl)-N,N-dimethylaniline
CID 90792914
CID 119078632
CID 119078632
ethane;methylphosphane;N,N,2-trimethylaniline
CID 162765401

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)?
The IUPAC name of bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline) (CID 139264400) is bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline).
What is the SMILES notation for bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)?
The canonical SMILES for bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline) is [CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Mn+2].[Mn+2].
What is the InChIKey of bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)?
The InChIKey is ILRXGOZRRHPKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H12N.2Mn/c4*1-8-6-4-5-7-9(8)10(2)3;;/h4*4-7H,1H2,2-3H3;;/q4*-1;2*+2.
What are the key properties of bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)?
bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline) has a molecular weight of 646.68 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline) is sourced from PubChem (CID 139264400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).