aniline;carbanide;ethane;yttrium

C11H22NY- — CID 160556611

IUPACaniline;carbanide;ethane;yttrium
SMILESCC.CC.Nc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C6H7N.2C2H6.CH3.Y/c7-6-4-2-1-3-5-6;2*1-2;;/h1-5H,7H2;2*1-2H3;1H3;/q;;;-1;
InChIKeyZSVVSRBBOJWCQT-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.77
Rot. Bonds

About aniline;carbanide;ethane;yttrium

aniline;carbanide;ethane;yttrium (PubChem CID 160556611) has the molecular formula C11H22NY- and a molecular weight of 257.21 g/mol. Its IUPAC name is aniline;carbanide;ethane;yttrium.

Molecular Properties

Compound Nameaniline;carbanide;ethane;yttrium
PubChem CID160556611
Molecular FormulaC11H22NY-
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Nameaniline;carbanide;ethane;yttrium
SMILESCC.CC.Nc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C6H7N.2C2H6.CH3.Y/c7-6-4-2-1-3-5-6;2*1-2;;/h1-5H,7H2;2*1-2H3;1H3;/q;;;-1;
InChIKeyZSVVSRBBOJWCQT-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 aniline;carbanide;ethane;yttrium?
The IUPAC name of aniline;carbanide;ethane;yttrium (CID 160556611) is aniline;carbanide;ethane;yttrium.
What is the SMILES notation for aniline;carbanide;ethane;yttrium?
The canonical SMILES for aniline;carbanide;ethane;yttrium is CC.CC.Nc1ccccc1.[CH3-].[Y].
What is the InChIKey of aniline;carbanide;ethane;yttrium?
The InChIKey is ZSVVSRBBOJWCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C2H6.CH3.Y/c7-6-4-2-1-3-5-6;2*1-2;;/h1-5H,7H2;2*1-2H3;1H3;/q;;;-1;.
What are the key properties of aniline;carbanide;ethane;yttrium?
aniline;carbanide;ethane;yttrium has a molecular weight of 257.21 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;carbanide;ethane;yttrium is sourced from PubChem (CID 160556611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).