TYOVBYMKRWIZOV-UHFFFAOYSA-N

C₉H₁₄N₂O — CID 564407

About TYOVBYMKRWIZOV-UHFFFAOYSA-N

TYOVBYMKRWIZOV-UHFFFAOYSA-N (PubChem CID 564407) has the molecular formula C₉H₁₄N₂O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethylamino)ethanol.

Molecular Properties

• Compound Name: TYOVBYMKRWIZOV-UHFFFAOYSA-N
• PubChem CID: 564407
• Molecular Formula: C₉H₁₄N₂O
• Molecular Weight: 166.22 g/mol
• Exact Mass: 166.11
• IUPAC Name: 2-(2-pyridin-4-ylethylamino)ethanol
• SMILES: OCCNCCc1ccncc1
• InChI: InChI=1S/C9H14N2O/c12-8-7-11-6-3-9-1-4-10-5-2-9/h1-2,4-5,11-12H,3,6-8H2
• InChIKey: TYOVBYMKRWIZOV-UHFFFAOYSA-N
• XLogP: 0.21
• TPSA: 45.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.22
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of TYOVBYMKRWIZOV-UHFFFAOYSA-N?

The IUPAC name of TYOVBYMKRWIZOV-UHFFFAOYSA-N (CID 564407) is 2-(2-pyridin-4-ylethylamino)ethanol.

What is the SMILES notation for TYOVBYMKRWIZOV-UHFFFAOYSA-N?

The canonical SMILES for TYOVBYMKRWIZOV-UHFFFAOYSA-N is OCCNCCc1ccncc1.

What is the InChIKey of TYOVBYMKRWIZOV-UHFFFAOYSA-N?

The InChIKey is TYOVBYMKRWIZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-8-7-11-6-3-9-1-4-10-5-2-9/h1-2,4-5,11-12H,3,6-8H2.

What are the key properties of TYOVBYMKRWIZOV-UHFFFAOYSA-N?

TYOVBYMKRWIZOV-UHFFFAOYSA-N has a molecular weight of 166.22 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for TYOVBYMKRWIZOV-UHFFFAOYSA-N is sourced from PubChem (CID 564407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 564407 — identifiers, structure, computed properties (public domain)

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