tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)

C44H92N10Y5-10 — CID 158532494

About tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)

tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium) (PubChem CID 158532494) has the molecular formula C44H92N10Y5-10 and a molecular weight of 1205.82 g/mol. Its IUPAC name is tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium).

Molecular Properties

• Compound Name: tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)
• PubChem CID: 158532494
• Molecular Formula: C44H92N10Y5-10
• Molecular Weight: 1205.82 g/mol
• Exact Mass: 1205.29
• IUPAC Name: tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)
• SMILES: C.C.[CH2-]CN(C)C1CN(C)C[C-]1C.[CH2-]CN(C)C1CN(C)C[C-]1C.[CH2-]CN(C)C1[CH-]CN(C)C1.[CH2-]CN(C)C1[CH-]CN(C)C1.[CH2-]CN(C)C1[CH-]CN(C)C1.[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/2C9H18N2.3C8H16N2.2CH4.5Y/c2*1-5-11(4)9-7-10(3)6-8(9)2;3*1-4-10(3)8-5-6-9(2)7-8;;;;;;;/h2*9H,1,5-7H2,2-4H3;3*5,8H,1,4,6-7H2,2-3H3;2*1H4;;;;;/q5*-2
• InChIKey: UTQKFKNUULPBLE-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1205.82
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)?

The IUPAC name of tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium) (CID 158532494) is tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium).

What is the SMILES notation for tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)?

The canonical SMILES for tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium) is C.C.[CH2-]CN(C)C1CN(C)C[C-]1C.[CH2-]CN(C)C1CN(C)C[C-]1C.[CH2-]CN(C)C1[CH-]CN(C)C1.[CH2-]CN(C)C1[CH-]CN(C)C1.[CH2-]CN(C)C1[CH-]CN(C)C1.[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)?

The InChIKey is UTQKFKNUULPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.3C8H16N2.2CH4.5Y/c2*1-5-11(4)9-7-10(3)6-8(9)2;3*1-4-10(3)8-5-6-9(2)7-8;;;;;;;/h2*9H,1,5-7H2,2-4H3;3*5,8H,1,4,6-7H2,2-3H3;2*1H4;;;;;/q5*-2;;;;;;;.

What are the key properties of tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium)?

tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium) has a molecular weight of 1205.82 g/mol, XLogP of 3.39, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);bis(N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine);methane;pentakis(yttrium) is sourced from PubChem (CID 158532494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).