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

C40H80N10Y5-10 — CID 158135756

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

tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium) (PubChem CID 158135756) has the molecular formula C40H80N10Y5-10 and a molecular weight of 1145.68 g/mol. Its IUPAC name is tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium).

Molecular Properties

• Compound Name: tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium)
• PubChem CID: 158135756
• Molecular Formula: C40H80N10Y5-10
• Molecular Weight: 1145.68 g/mol
• Exact Mass: 1145.19
• IUPAC Name: tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium)
• SMILES: [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.[CH2-]CN[C@H]1[CH-]CN(C)C1.[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C9H18N2.3C8H16N2.C7H14N2.5Y/c1-5-11(4)9-7-10(3)6-8(9)2;3*1-4-10(3)8-5-6-9(2)7-8;1-3-8-7-4-5-9(2)6-7;;;;;/h9H,1,5-7H2,2-4H3;3*5,8H,1,4,6-7H2,2-3H3;4,7-8H,1,3,5-6H2,2H3;;;;;/q5*-2;;;;;/t;;;;7-;;;;;/m....0...../s1
• InChIKey: AQPUKXOBAHQVOG-BLMGAXLOSA-N
• XLogP: 1.39
• TPSA: 41.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1145.68
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
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);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium)?

The IUPAC name of tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium) (CID 158135756) is tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium).

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

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

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

The InChIKey is AQPUKXOBAHQVOG-BLMGAXLOSA-N. The full InChI is InChI=1S/C9H18N2.3C8H16N2.C7H14N2.5Y/c1-5-11(4)9-7-10(3)6-8(9)2;3*1-4-10(3)8-5-6-9(2)7-8;1-3-8-7-4-5-9(2)6-7;;;;;/h9H,1,5-7H2,2-4H3;3*5,8H,1,4,6-7H2,2-3H3;4,7-8H,1,3,5-6H2,2H3;;;;;/q5*-2;;;;;/t;;;;7-;;;;;/m....0...../s1.

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

tris(N-ethyl-N,1-dimethylpyrrolidin-4-id-3-amine);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium) has a molecular weight of 1145.68 g/mol, XLogP of 1.39, 10 rotatable bonds, 1 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);(3S)-N-ethyl-1-methylpyrrolidin-4-id-3-amine;N-ethyl-N,1,4-trimethylpyrrolidin-4-id-3-amine;pentakis(yttrium) is sourced from PubChem (CID 158135756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).