2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol

C9H18N2O2 — CID 79507419

IUPAC2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1=NCCCC1
InChIInChI=1S/C9H18N2O2/c12-6-8-13-7-5-11-9-3-1-2-4-10-9/h12H,1-8H2,(H,10,11)
InChIKeyZBLQAKMWOFOGMJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.17
Rot. Bonds5

About 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol

2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol (PubChem CID 79507419) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol
PubChem CID79507419
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1=NCCCC1
InChIInChI=1S/C9H18N2O2/c12-6-8-13-7-5-11-9-3-1-2-4-10-9/h12H,1-8H2,(H,10,11)
InChIKeyZBLQAKMWOFOGMJ-UHFFFAOYSA-N
XLogP0.17
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol (CID 79507419) is 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol is OCCOCCNC1=NCCCC1.
What is the InChIKey of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol?
The InChIKey is ZBLQAKMWOFOGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-6-8-13-7-5-11-9-3-1-2-4-10-9/h12H,1-8H2,(H,10,11).
What are the key properties of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol?
2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol has a molecular weight of 186.25 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethoxy]ethanol is sourced from PubChem (CID 79507419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).