3-(diethylaminooxy)propan-1-amine

C7H18N2O — CID 90922675

IUPAC3-(diethylaminooxy)propan-1-amine
SMILESCCN(CC)OCCCN
InChIInChI=1S/C7H18N2O/c1-3-9(4-2)10-7-5-6-8/h3-8H2,1-2H3
InChIKeyZIBVSYNUTPWQDV-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.61
Rot. Bonds6

About 3-(diethylaminooxy)propan-1-amine

3-(diethylaminooxy)propan-1-amine (PubChem CID 90922675) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-(diethylaminooxy)propan-1-amine.

Molecular Properties

Compound Name3-(diethylaminooxy)propan-1-amine
PubChem CID90922675
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-(diethylaminooxy)propan-1-amine
SMILESCCN(CC)OCCCN
InChIInChI=1S/C7H18N2O/c1-3-9(4-2)10-7-5-6-8/h3-8H2,1-2H3
InChIKeyZIBVSYNUTPWQDV-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
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'}

Analyze 3-(diethylaminooxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminooxy)propan-1-amine?
The IUPAC name of 3-(diethylaminooxy)propan-1-amine (CID 90922675) is 3-(diethylaminooxy)propan-1-amine.
What is the SMILES notation for 3-(diethylaminooxy)propan-1-amine?
The canonical SMILES for 3-(diethylaminooxy)propan-1-amine is CCN(CC)OCCCN.
What is the InChIKey of 3-(diethylaminooxy)propan-1-amine?
The InChIKey is ZIBVSYNUTPWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-9(4-2)10-7-5-6-8/h3-8H2,1-2H3.
What are the key properties of 3-(diethylaminooxy)propan-1-amine?
3-(diethylaminooxy)propan-1-amine has a molecular weight of 146.23 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminooxy)propan-1-amine is sourced from PubChem (CID 90922675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).