2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol

C24H51NO4 — CID 138401408

About 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 138401408) has the molecular formula C24H51NO4 and a molecular weight of 417.68 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 138401408
• Molecular Formula: C24H51NO4
• Molecular Weight: 417.68 g/mol
• Exact Mass: 417.38
• IUPAC Name: 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCC(C)(C)NCCOCCOCCOCCO
• InChI: InChI=1S/C24H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-24(2,3)25-16-18-27-20-22-29-23-21-28-19-17-26/h25-26H,4-23H2,1-3H3
• InChIKey: MWLZZXAMYOGHMI-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 59.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 24
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.68
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol (CID 138401408) is 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCC(C)(C)NCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is MWLZZXAMYOGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-24(2,3)25-16-18-27-20-22-29-23-21-28-19-17-26/h25-26H,4-23H2,1-3H3.

What are the key properties of 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 417.68 g/mol, XLogP of 5.10, 24 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 138401408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).