bis(2-methylbenzene-4-id-1-amine);yttrium

C14H16N2Y-2 — CID 58340340

IUPACbis(2-methylbenzene-4-id-1-amine);yttrium
SMILESCc1c[c-]ccc1N.Cc1c[c-]ccc1N.[Y]
InChIInChI=1S/2C7H8N.Y/c2*1-6-4-2-3-5-7(6)8;/h2*3-5H,8H2,1H3;/q2*-1;
InChIKeyHXDHPWDFTZSKLQ-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.75
Rot. Bonds

About bis(2-methylbenzene-4-id-1-amine);yttrium

bis(2-methylbenzene-4-id-1-amine);yttrium (PubChem CID 58340340) has the molecular formula C14H16N2Y-2 and a molecular weight of 301.20 g/mol. Its IUPAC name is bis(2-methylbenzene-4-id-1-amine);yttrium.

Molecular Properties

Compound Namebis(2-methylbenzene-4-id-1-amine);yttrium
PubChem CID58340340
Molecular FormulaC14H16N2Y-2
Molecular Weight301.20 g/mol
Exact Mass301.04
IUPAC Namebis(2-methylbenzene-4-id-1-amine);yttrium
SMILESCc1c[c-]ccc1N.Cc1c[c-]ccc1N.[Y]
InChIInChI=1S/2C7H8N.Y/c2*1-6-4-2-3-5-7(6)8;/h2*3-5H,8H2,1H3;/q2*-1;
InChIKeyHXDHPWDFTZSKLQ-UHFFFAOYSA-N
XLogP2.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-methylbenzene-4-id-1-amine);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 bis(2-methylbenzene-4-id-1-amine);yttrium?
The IUPAC name of bis(2-methylbenzene-4-id-1-amine);yttrium (CID 58340340) is bis(2-methylbenzene-4-id-1-amine);yttrium.
What is the SMILES notation for bis(2-methylbenzene-4-id-1-amine);yttrium?
The canonical SMILES for bis(2-methylbenzene-4-id-1-amine);yttrium is Cc1c[c-]ccc1N.Cc1c[c-]ccc1N.[Y].
What is the InChIKey of bis(2-methylbenzene-4-id-1-amine);yttrium?
The InChIKey is HXDHPWDFTZSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8N.Y/c2*1-6-4-2-3-5-7(6)8;/h2*3-5H,8H2,1H3;/q2*-1;.
What are the key properties of bis(2-methylbenzene-4-id-1-amine);yttrium?
bis(2-methylbenzene-4-id-1-amine);yttrium has a molecular weight of 301.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbenzene-4-id-1-amine);yttrium is sourced from PubChem (CID 58340340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).