bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum

C13H28MoN3O3-3 — CID 162699623

IUPACbis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH2-][N+](C)(CCN(C)C)CCN(C)C.[Mo]
InChIInChI=1S/C10H25N3.3CHO.Mo/c1-11(2)7-9-13(5,6)10-8-12(3)4;3*1-2;/h5,7-10H2,1-4,6H3;3*1H;/q;3*-1;
InChIKeyBZYNLUZPGJBOBL-UHFFFAOYSA-N
MW370.33 g/mol
LogP-0.48
Rot. Bonds6

About bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum

bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum (PubChem CID 162699623) has the molecular formula C13H28MoN3O3-3 and a molecular weight of 370.33 g/mol. Its IUPAC name is bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum.

Molecular Properties

Compound Namebis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum
PubChem CID162699623
Molecular FormulaC13H28MoN3O3-3
Molecular Weight370.33 g/mol
Exact Mass372.12
IUPAC Namebis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH2-][N+](C)(CCN(C)C)CCN(C)C.[Mo]
InChIInChI=1S/C10H25N3.3CHO.Mo/c1-11(2)7-9-13(5,6)10-8-12(3)4;3*1-2;/h5,7-10H2,1-4,6H3;3*1H;/q;3*-1;
InChIKeyBZYNLUZPGJBOBL-UHFFFAOYSA-N
XLogP-0.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum 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 bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum?
The IUPAC name of bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum (CID 162699623) is bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum.
What is the SMILES notation for bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum?
The canonical SMILES for bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum is [CH-]=O.[CH-]=O.[CH-]=O.[CH2-][N+](C)(CCN(C)C)CCN(C)C.[Mo].
What is the InChIKey of bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum?
The InChIKey is BZYNLUZPGJBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3.3CHO.Mo/c1-11(2)7-9-13(5,6)10-8-12(3)4;3*1-2;/h5,7-10H2,1-4,6H3;3*1H;/q;3*-1;.
What are the key properties of bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum?
bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum has a molecular weight of 370.33 g/mol, XLogP of -0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum is sourced from PubChem (CID 162699623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).