1-[2-(3-aminopropoxy)ethoxy]ethanol

C7H17NO3 — CID 21114766

IUPAC1-[2-(3-aminopropoxy)ethoxy]ethanol
SMILESCC(O)OCCOCCCN
InChIInChI=1S/C7H17NO3/c1-7(9)11-6-5-10-4-2-3-8/h7,9H,2-6,8H2,1H3
InChIKeyJRVZBGOSECROMG-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.29
Rot. Bonds7

About 1-[2-(3-aminopropoxy)ethoxy]ethanol

1-[2-(3-aminopropoxy)ethoxy]ethanol (PubChem CID 21114766) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[2-(3-aminopropoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-[2-(3-aminopropoxy)ethoxy]ethanol
PubChem CID21114766
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name1-[2-(3-aminopropoxy)ethoxy]ethanol
SMILESCC(O)OCCOCCCN
InChIInChI=1S/C7H17NO3/c1-7(9)11-6-5-10-4-2-3-8/h7,9H,2-6,8H2,1H3
InChIKeyJRVZBGOSECROMG-UHFFFAOYSA-N
XLogP-0.29
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropoxy)ethoxy]ethanol?
The IUPAC name of 1-[2-(3-aminopropoxy)ethoxy]ethanol (CID 21114766) is 1-[2-(3-aminopropoxy)ethoxy]ethanol.
What is the SMILES notation for 1-[2-(3-aminopropoxy)ethoxy]ethanol?
The canonical SMILES for 1-[2-(3-aminopropoxy)ethoxy]ethanol is CC(O)OCCOCCCN.
What is the InChIKey of 1-[2-(3-aminopropoxy)ethoxy]ethanol?
The InChIKey is JRVZBGOSECROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-7(9)11-6-5-10-4-2-3-8/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-[2-(3-aminopropoxy)ethoxy]ethanol?
1-[2-(3-aminopropoxy)ethoxy]ethanol has a molecular weight of 163.22 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropoxy)ethoxy]ethanol is sourced from PubChem (CID 21114766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).