2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine

C8H18N2O2 — CID 79677531

IUPAC2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine
SMILESCNCCN1CC(OC)(OC)C1
InChIInChI=1S/C8H18N2O2/c1-9-4-5-10-6-8(7-10,11-2)12-3/h9H,4-7H2,1-3H3
InChIKeyQSNLNJYAQZQNPG-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.49
Rot. Bonds5

About 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine

2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine (PubChem CID 79677531) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine
PubChem CID79677531
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine
SMILESCNCCN1CC(OC)(OC)C1
InChIInChI=1S/C8H18N2O2/c1-9-4-5-10-6-8(7-10,11-2)12-3/h9H,4-7H2,1-3H3
InChIKeyQSNLNJYAQZQNPG-UHFFFAOYSA-N
XLogP-0.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine 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 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine (CID 79677531) is 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine is CNCCN1CC(OC)(OC)C1.
What is the InChIKey of 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine?
The InChIKey is QSNLNJYAQZQNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-9-4-5-10-6-8(7-10,11-2)12-3/h9H,4-7H2,1-3H3.
What are the key properties of 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine?
2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine has a molecular weight of 174.24 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 79677531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).