3-[2-(methylamino)ethoxy]propan-1-ol

C6H15NO2 — CID 54391332

IUPAC3-[2-(methylamino)ethoxy]propan-1-ol
SMILESCNCCOCCCO
InChIInChI=1S/C6H15NO2/c1-7-3-6-9-5-2-4-8/h7-8H,2-6H2,1H3
InChIKeySKVMFPJTLMIOOM-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.40
Rot. Bonds6

About 3-[2-(methylamino)ethoxy]propan-1-ol

3-[2-(methylamino)ethoxy]propan-1-ol (PubChem CID 54391332) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-[2-(methylamino)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(methylamino)ethoxy]propan-1-ol
PubChem CID54391332
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name3-[2-(methylamino)ethoxy]propan-1-ol
SMILESCNCCOCCCO
InChIInChI=1S/C6H15NO2/c1-7-3-6-9-5-2-4-8/h7-8H,2-6H2,1H3
InChIKeySKVMFPJTLMIOOM-UHFFFAOYSA-N
XLogP-0.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[2-(methylamino)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-(methylamino)ethoxy]propan-1-ol (CID 54391332) is 3-[2-(methylamino)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(methylamino)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-(methylamino)ethoxy]propan-1-ol is CNCCOCCCO.
What is the InChIKey of 3-[2-(methylamino)ethoxy]propan-1-ol?
The InChIKey is SKVMFPJTLMIOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-7-3-6-9-5-2-4-8/h7-8H,2-6H2,1H3.
What are the key properties of 3-[2-(methylamino)ethoxy]propan-1-ol?
3-[2-(methylamino)ethoxy]propan-1-ol has a molecular weight of 133.19 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethoxy]propan-1-ol is sourced from PubChem (CID 54391332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).