1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide

C₁₀H₂₃N₃O₅ — CID 22555881

About 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide

1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide (PubChem CID 22555881) has the molecular formula C₁₀H₂₃N₃O₅ and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide.

Molecular Properties

• Compound Name: 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide
• PubChem CID: 22555881
• Molecular Formula: C₁₀H₂₃N₃O₅
• Molecular Weight: 265.31 g/mol
• Exact Mass: 265.16
• IUPAC Name: 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide
• SMILES: CC(N)O.NC(=O)CCC(=O)N(CCO)CCO
• InChI: InChI=1S/C8H16N2O4.C2H7NO/c9-7(13)1-2-8(14)10(3-5-11)4-6-12;1-2(3)4/h11-12H,1-6H2,(H2,9,13);2,4H,3H2,1H3
• InChIKey: MMYDHRQSEIGLSK-UHFFFAOYSA-N
• XLogP: -2.65
• TPSA: 150.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.31
LogP ≤ 5	-2.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?

The IUPAC name of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide (CID 22555881) is 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide.

What is the SMILES notation for 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?

The canonical SMILES for 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide is CC(N)O.NC(=O)CCC(=O)N(CCO)CCO.

What is the InChIKey of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?

The InChIKey is MMYDHRQSEIGLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4.C2H7NO/c9-7(13)1-2-8(14)10(3-5-11)4-6-12;1-2(3)4/h11-12H,1-6H2,(H2,9,13);2,4H,3H2,1H3.

What are the key properties of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?

1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide has a molecular weight of 265.31 g/mol, XLogP of -2.65, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 22555881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22555881 — identifiers, structure, computed properties (public domain)

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