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

C7H17NO3 — CID 59693415

IUPAC1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
SMILESCC(O)CNCCOCCO
InChIInChI=1S/C7H17NO3/c1-7(10)6-8-2-4-11-5-3-9/h7-10H,2-6H2,1H3
InChIKeyQORBPDGHQKMYGZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.03
Rot. Bonds7

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

1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol (PubChem CID 59693415) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
PubChem CID59693415
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
SMILESCC(O)CNCCOCCO
InChIInChI=1S/C7H17NO3/c1-7(10)6-8-2-4-11-5-3-9/h7-10H,2-6H2,1H3
InChIKeyQORBPDGHQKMYGZ-UHFFFAOYSA-N
XLogP-1.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.03
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 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol (CID 59693415) is 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol is CC(O)CNCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The InChIKey is QORBPDGHQKMYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-7(10)6-8-2-4-11-5-3-9/h7-10H,2-6H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol has a molecular weight of 163.22 g/mol, XLogP of -1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 59693415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).