ethane;N-methanidylaniline;yttrium

C9H13NY-2 — CID 161273901

IUPACethane;N-methanidylaniline;yttrium
SMILESCC.[CH2-]Nc1[c-]cccc1.[Y]
InChIInChI=1S/C7H7N.C2H6.Y/c1-8-7-5-3-2-4-6-7;1-2;/h2-5,8H,1H2;1-2H3;/q-2;;
InChIKeyPGILOVKHYLZJBQ-UHFFFAOYSA-N
MW224.12 g/mol
LogP2.71
Rot. Bonds1

About ethane;N-methanidylaniline;yttrium

ethane;N-methanidylaniline;yttrium (PubChem CID 161273901) has the molecular formula C9H13NY-2 and a molecular weight of 224.12 g/mol. Its IUPAC name is ethane;N-methanidylaniline;yttrium.

Molecular Properties

Compound Nameethane;N-methanidylaniline;yttrium
PubChem CID161273901
Molecular FormulaC9H13NY-2
Molecular Weight224.12 g/mol
Exact Mass224.01
IUPAC Nameethane;N-methanidylaniline;yttrium
SMILESCC.[CH2-]Nc1[c-]cccc1.[Y]
InChIInChI=1S/C7H7N.C2H6.Y/c1-8-7-5-3-2-4-6-7;1-2;/h2-5,8H,1H2;1-2H3;/q-2;;
InChIKeyPGILOVKHYLZJBQ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methanidylaniline;yttrium?
The IUPAC name of ethane;N-methanidylaniline;yttrium (CID 161273901) is ethane;N-methanidylaniline;yttrium.
What is the SMILES notation for ethane;N-methanidylaniline;yttrium?
The canonical SMILES for ethane;N-methanidylaniline;yttrium is CC.[CH2-]Nc1[c-]cccc1.[Y].
What is the InChIKey of ethane;N-methanidylaniline;yttrium?
The InChIKey is PGILOVKHYLZJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C2H6.Y/c1-8-7-5-3-2-4-6-7;1-2;/h2-5,8H,1H2;1-2H3;/q-2;;.
What are the key properties of ethane;N-methanidylaniline;yttrium?
ethane;N-methanidylaniline;yttrium has a molecular weight of 224.12 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methanidylaniline;yttrium is sourced from PubChem (CID 161273901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).