N-(propoxymethoxy)ethanamine

C6H15NO2 — CID 173191825

IUPACN-(propoxymethoxy)ethanamine
SMILESCCCOCONCC
InChIInChI=1S/C6H15NO2/c1-3-5-8-6-9-7-4-2/h7H,3-6H2,1-2H3
InChIKeyFCSQWWDKUUOPGI-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.91
Rot. Bonds6

About N-(propoxymethoxy)ethanamine

N-(propoxymethoxy)ethanamine (PubChem CID 173191825) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is N-(propoxymethoxy)ethanamine.

Molecular Properties

Compound NameN-(propoxymethoxy)ethanamine
PubChem CID173191825
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC NameN-(propoxymethoxy)ethanamine
SMILESCCCOCONCC
InChIInChI=1S/C6H15NO2/c1-3-5-8-6-9-7-4-2/h7H,3-6H2,1-2H3
InChIKeyFCSQWWDKUUOPGI-UHFFFAOYSA-N
XLogP0.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(propoxymethoxy)ethanamine?
The IUPAC name of N-(propoxymethoxy)ethanamine (CID 173191825) is N-(propoxymethoxy)ethanamine.
What is the SMILES notation for N-(propoxymethoxy)ethanamine?
The canonical SMILES for N-(propoxymethoxy)ethanamine is CCCOCONCC.
What is the InChIKey of N-(propoxymethoxy)ethanamine?
The InChIKey is FCSQWWDKUUOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-3-5-8-6-9-7-4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-(propoxymethoxy)ethanamine?
N-(propoxymethoxy)ethanamine has a molecular weight of 133.19 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propoxymethoxy)ethanamine is sourced from PubChem (CID 173191825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).