2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol

C8H19NO3 — CID 61070876

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
SMILESCCC(CO)NCCOCCO
InChIInChI=1S/C8H19NO3/c1-2-8(7-11)9-3-5-12-6-4-10/h8-11H,2-7H2,1H3
InChIKeyFWXLGWFKFYLAFF-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.64
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol

2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol (PubChem CID 61070876) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
PubChem CID61070876
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
SMILESCCC(CO)NCCOCCO
InChIInChI=1S/C8H19NO3/c1-2-8(7-11)9-3-5-12-6-4-10/h8-11H,2-7H2,1H3
InChIKeyFWXLGWFKFYLAFF-UHFFFAOYSA-N
XLogP-0.64
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
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-hydroxyethoxy)ethylamino]butan-1-ol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol (CID 61070876) is 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol is CCC(CO)NCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol?
The InChIKey is FWXLGWFKFYLAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-2-8(7-11)9-3-5-12-6-4-10/h8-11H,2-7H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol?
2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol has a molecular weight of 177.24 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol is sourced from PubChem (CID 61070876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).