2-(2-methoxypropoxy)ethanamine

C6H15NO2 — CID 87536203

IUPAC2-(2-methoxypropoxy)ethanamine
SMILESCOC(C)COCCN
InChIInChI=1S/C6H15NO2/c1-6(8-2)5-9-4-3-7/h6H,3-5,7H2,1-2H3
InChIKeyYDKAHECTADDYPI-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.00
Rot. Bonds5

About 2-(2-methoxypropoxy)ethanamine

2-(2-methoxypropoxy)ethanamine (PubChem CID 87536203) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-(2-methoxypropoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methoxypropoxy)ethanamine
PubChem CID87536203
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-(2-methoxypropoxy)ethanamine
SMILESCOC(C)COCCN
InChIInChI=1S/C6H15NO2/c1-6(8-2)5-9-4-3-7/h6H,3-5,7H2,1-2H3
InChIKeyYDKAHECTADDYPI-UHFFFAOYSA-N
XLogP-0.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
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 2-(2-methoxypropoxy)ethanamine?
The IUPAC name of 2-(2-methoxypropoxy)ethanamine (CID 87536203) is 2-(2-methoxypropoxy)ethanamine.
What is the SMILES notation for 2-(2-methoxypropoxy)ethanamine?
The canonical SMILES for 2-(2-methoxypropoxy)ethanamine is COC(C)COCCN.
What is the InChIKey of 2-(2-methoxypropoxy)ethanamine?
The InChIKey is YDKAHECTADDYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(8-2)5-9-4-3-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methoxypropoxy)ethanamine?
2-(2-methoxypropoxy)ethanamine has a molecular weight of 133.19 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropoxy)ethanamine is sourced from PubChem (CID 87536203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).