6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol

C11H25NO3 — CID 107703333

IUPAC6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
SMILESCOCCOCCNCCCCCCO
InChIInChI=1S/C11H25NO3/c1-14-10-11-15-9-7-12-6-4-2-3-5-8-13/h12-13H,2-11H2,1H3
InChIKeyJMFPHZQEGVNVDK-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.79
Rot. Bonds12

About 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol

6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol (PubChem CID 107703333) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
PubChem CID107703333
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
SMILESCOCCOCCNCCCCCCO
InChIInChI=1S/C11H25NO3/c1-14-10-11-15-9-7-12-6-4-2-3-5-8-13/h12-13H,2-11H2,1H3
InChIKeyJMFPHZQEGVNVDK-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.79
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 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol (CID 107703333) is 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol is COCCOCCNCCCCCCO.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol?
The InChIKey is JMFPHZQEGVNVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-14-10-11-15-9-7-12-6-4-2-3-5-8-13/h12-13H,2-11H2,1H3.
What are the key properties of 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol?
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.79, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol is sourced from PubChem (CID 107703333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).