3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)

C13H12N2Y2-2 — CID 59064597

IUPAC3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)
SMILESNc1[c-]ccc(Cc2cc[c-]c(N)c2)c1.[Y].[Y]
InChIInChI=1S/C13H12N2.2Y/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11;;/h1-4,8-9H,7,14-15H2;;/q-2;;
InChIKeyGGPSEZNZOIDGJE-UHFFFAOYSA-N
MW374.07 g/mol
LogP2.04
Rot. Bonds2

About 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)

3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium) (PubChem CID 59064597) has the molecular formula C13H12N2Y2-2 and a molecular weight of 374.07 g/mol. Its IUPAC name is 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium).

Molecular Properties

Compound Name3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)
PubChem CID59064597
Molecular FormulaC13H12N2Y2-2
Molecular Weight374.07 g/mol
Exact Mass373.91
IUPAC Name3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)
SMILESNc1[c-]ccc(Cc2cc[c-]c(N)c2)c1.[Y].[Y]
InChIInChI=1S/C13H12N2.2Y/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11;;/h1-4,8-9H,7,14-15H2;;/q-2;;
InChIKeyGGPSEZNZOIDGJE-UHFFFAOYSA-N
XLogP2.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 52.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)?
The IUPAC name of 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium) (CID 59064597) is 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium).
What is the SMILES notation for 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)?
The canonical SMILES for 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium) is Nc1[c-]ccc(Cc2cc[c-]c(N)c2)c1.[Y].[Y].
What is the InChIKey of 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)?
The InChIKey is GGPSEZNZOIDGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.2Y/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11;;/h1-4,8-9H,7,14-15H2;;/q-2;;.
What are the key properties of 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium)?
3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium) has a molecular weight of 374.07 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminobenzene-4-id-1-yl)methyl]benzene-6-id-1-amine;bis(yttrium) is sourced from PubChem (CID 59064597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).