ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium

C22H36N2Y-2 — CID 158148720

IUPACethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium
SMILESCC.CC.[CH2-]N(C)c1ccc(C)cc1.[CH2-]N(C)c1ccc(C)cc1.[Y]
InChIInChI=1S/2C9H12N.2C2H6.Y/c2*1-8-4-6-9(7-5-8)10(2)3;2*1-2;/h2*4-7H,2H2,1,3H3;2*1-2H3;/q2*-1;;;
InChIKeyCICGSFLUEDYCRI-UHFFFAOYSA-N
MW417.45 g/mol
LogP6.50
Rot. Bonds2

About ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium

ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium (PubChem CID 158148720) has the molecular formula C22H36N2Y-2 and a molecular weight of 417.45 g/mol. Its IUPAC name is ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium.

Molecular Properties

Compound Nameethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium
PubChem CID158148720
Molecular FormulaC22H36N2Y-2
Molecular Weight417.45 g/mol
Exact Mass417.19
IUPAC Nameethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium
SMILESCC.CC.[CH2-]N(C)c1ccc(C)cc1.[CH2-]N(C)c1ccc(C)cc1.[Y]
InChIInChI=1S/2C9H12N.2C2H6.Y/c2*1-8-4-6-9(7-5-8)10(2)3;2*1-2;/h2*4-7H,2H2,1,3H3;2*1-2H3;/q2*-1;;;
InChIKeyCICGSFLUEDYCRI-UHFFFAOYSA-N
XLogP6.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.45
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze ethane;bis(N-methanidyl-N,4-dimethylaniline);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 ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium?
The IUPAC name of ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium (CID 158148720) is ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium.
What is the SMILES notation for ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium?
The canonical SMILES for ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium is CC.CC.[CH2-]N(C)c1ccc(C)cc1.[CH2-]N(C)c1ccc(C)cc1.[Y].
What is the InChIKey of ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium?
The InChIKey is CICGSFLUEDYCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N.2C2H6.Y/c2*1-8-4-6-9(7-5-8)10(2)3;2*1-2;/h2*4-7H,2H2,1,3H3;2*1-2H3;/q2*-1;;;.
What are the key properties of ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium?
ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium has a molecular weight of 417.45 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(N-methanidyl-N,4-dimethylaniline);yttrium is sourced from PubChem (CID 158148720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).