2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine

C9H17ClN2O2 — CID 87940276

IUPAC2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine
SMILESClCC=NOCCCN1CCOCC1
InChIInChI=1S/C9H17ClN2O2/c10-2-3-11-14-7-1-4-12-5-8-13-9-6-12/h3H,1-2,4-9H2
InChIKeyAJVSCHCAPZUPON-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.95
Rot. Bonds6

About 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine

2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine (PubChem CID 87940276) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine.

Molecular Properties

Compound Name2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine
PubChem CID87940276
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine
SMILESClCC=NOCCCN1CCOCC1
InChIInChI=1S/C9H17ClN2O2/c10-2-3-11-14-7-1-4-12-5-8-13-9-6-12/h3H,1-2,4-9H2
InChIKeyAJVSCHCAPZUPON-UHFFFAOYSA-N
XLogP0.95
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine 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-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine?
The IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine (CID 87940276) is 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine.
What is the SMILES notation for 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine?
The canonical SMILES for 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine is ClCC=NOCCCN1CCOCC1.
What is the InChIKey of 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine?
The InChIKey is AJVSCHCAPZUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c10-2-3-11-14-7-1-4-12-5-8-13-9-6-12/h3H,1-2,4-9H2.
What are the key properties of 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine?
2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine has a molecular weight of 220.70 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine is sourced from PubChem (CID 87940276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).