N,N,3-trimethylbenzene-5-id-1-amine;yttrium

C9H12NY- — CID 58336188

IUPACN,N,3-trimethylbenzene-5-id-1-amine;yttrium
SMILESCc1c[c-]cc(N(C)C)c1.[Y]
InChIInChI=1S/C9H12N.Y/c1-8-5-4-6-9(7-8)10(2)3;/h5-7H,1-3H3;/q-1;
InChIKeyQHFYFFXKKLGQTR-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.86
Rot. Bonds1

About N,N,3-trimethylbenzene-5-id-1-amine;yttrium

N,N,3-trimethylbenzene-5-id-1-amine;yttrium (PubChem CID 58336188) has the molecular formula C9H12NY- and a molecular weight of 223.11 g/mol. Its IUPAC name is N,N,3-trimethylbenzene-5-id-1-amine;yttrium.

Molecular Properties

Compound NameN,N,3-trimethylbenzene-5-id-1-amine;yttrium
PubChem CID58336188
Molecular FormulaC9H12NY-
Molecular Weight223.11 g/mol
Exact Mass223.00
IUPAC NameN,N,3-trimethylbenzene-5-id-1-amine;yttrium
SMILESCc1c[c-]cc(N(C)C)c1.[Y]
InChIInChI=1S/C9H12N.Y/c1-8-5-4-6-9(7-8)10(2)3;/h5-7H,1-3H3;/q-1;
InChIKeyQHFYFFXKKLGQTR-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylbenzene-5-id-1-amine;yttrium?
The IUPAC name of N,N,3-trimethylbenzene-5-id-1-amine;yttrium (CID 58336188) is N,N,3-trimethylbenzene-5-id-1-amine;yttrium.
What is the SMILES notation for N,N,3-trimethylbenzene-5-id-1-amine;yttrium?
The canonical SMILES for N,N,3-trimethylbenzene-5-id-1-amine;yttrium is Cc1c[c-]cc(N(C)C)c1.[Y].
What is the InChIKey of N,N,3-trimethylbenzene-5-id-1-amine;yttrium?
The InChIKey is QHFYFFXKKLGQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Y/c1-8-5-4-6-9(7-8)10(2)3;/h5-7H,1-3H3;/q-1;.
What are the key properties of N,N,3-trimethylbenzene-5-id-1-amine;yttrium?
N,N,3-trimethylbenzene-5-id-1-amine;yttrium has a molecular weight of 223.11 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylbenzene-5-id-1-amine;yttrium is sourced from PubChem (CID 58336188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).