butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol

C16H34N2O4 — CID 144560794

About butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol

butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol (PubChem CID 144560794) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol.

Molecular Properties

• Compound Name: butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol
• PubChem CID: 144560794
• Molecular Formula: C16H34N2O4
• Molecular Weight: 318.46 g/mol
• Exact Mass: 318.25
• IUPAC Name: butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol
• SMILES: CCCC#N.CCCN(CCCOCCO)CCOCCO
• InChI: InChI=1S/C12H27NO4.C4H7N/c1-2-4-13(6-10-17-12-8-15)5-3-9-16-11-7-14;1-2-3-4-5/h14-15H,2-12H2,1H3;2-3H2,1H3
• InChIKey: KEZRRHVRPAVHEU-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 85.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.46
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol?

The IUPAC name of butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol (CID 144560794) is butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol.

What is the SMILES notation for butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol?

The canonical SMILES for butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol is CCCC#N.CCCN(CCCOCCO)CCOCCO.

What is the InChIKey of butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol?

The InChIKey is KEZRRHVRPAVHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4.C4H7N/c1-2-4-13(6-10-17-12-8-15)5-3-9-16-11-7-14;1-2-3-4-5/h14-15H,2-12H2,1H3;2-3H2,1H3.

What are the key properties of butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol?

butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol has a molecular weight of 318.46 g/mol, XLogP of 1.42, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol is sourced from PubChem (CID 144560794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).