3-(ethylaminooxy)-N-methylpropan-1-amine

C6H16N2O — CID 158867519

IUPAC3-(ethylaminooxy)-N-methylpropan-1-amine
SMILESCCNOCCCNC
InChIInChI=1S/C6H16N2O/c1-3-8-9-6-4-5-7-2/h7-8H,3-6H2,1-2H3
InChIKeyQKAHLRZTQXYXOR-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.14
Rot. Bonds6

About 3-(ethylaminooxy)-N-methylpropan-1-amine

3-(ethylaminooxy)-N-methylpropan-1-amine (PubChem CID 158867519) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3-(ethylaminooxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(ethylaminooxy)-N-methylpropan-1-amine
PubChem CID158867519
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3-(ethylaminooxy)-N-methylpropan-1-amine
SMILESCCNOCCCNC
InChIInChI=1S/C6H16N2O/c1-3-8-9-6-4-5-7-2/h7-8H,3-6H2,1-2H3
InChIKeyQKAHLRZTQXYXOR-UHFFFAOYSA-N
XLogP0.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-(ethylaminooxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(ethylaminooxy)-N-methylpropan-1-amine (CID 158867519) is 3-(ethylaminooxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(ethylaminooxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(ethylaminooxy)-N-methylpropan-1-amine is CCNOCCCNC.
What is the InChIKey of 3-(ethylaminooxy)-N-methylpropan-1-amine?
The InChIKey is QKAHLRZTQXYXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-8-9-6-4-5-7-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(ethylaminooxy)-N-methylpropan-1-amine?
3-(ethylaminooxy)-N-methylpropan-1-amine has a molecular weight of 132.21 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminooxy)-N-methylpropan-1-amine is sourced from PubChem (CID 158867519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).