2-methoxy-2-propoxyethanamine

C6H15NO2 — CID 22766276

IUPAC2-methoxy-2-propoxyethanamine
SMILESCCCOC(CN)OC
InChIInChI=1S/C6H15NO2/c1-3-4-9-6(5-7)8-2/h6H,3-5,7H2,1-2H3
InChIKeyQSICYCHVVBVTLN-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.34
Rot. Bonds5

About 2-methoxy-2-propoxyethanamine

2-methoxy-2-propoxyethanamine (PubChem CID 22766276) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methoxy-2-propoxyethanamine.

Molecular Properties

Compound Name2-methoxy-2-propoxyethanamine
PubChem CID22766276
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-methoxy-2-propoxyethanamine
SMILESCCCOC(CN)OC
InChIInChI=1S/C6H15NO2/c1-3-4-9-6(5-7)8-2/h6H,3-5,7H2,1-2H3
InChIKeyQSICYCHVVBVTLN-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-propoxyethanamine?
The IUPAC name of 2-methoxy-2-propoxyethanamine (CID 22766276) is 2-methoxy-2-propoxyethanamine.
What is the SMILES notation for 2-methoxy-2-propoxyethanamine?
The canonical SMILES for 2-methoxy-2-propoxyethanamine is CCCOC(CN)OC.
What is the InChIKey of 2-methoxy-2-propoxyethanamine?
The InChIKey is QSICYCHVVBVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-3-4-9-6(5-7)8-2/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-methoxy-2-propoxyethanamine?
2-methoxy-2-propoxyethanamine has a molecular weight of 133.19 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-propoxyethanamine is sourced from PubChem (CID 22766276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).