2-(3-chloropropyl)-1-methylazetidine

C7H14ClN — CID 176925316

IUPAC2-(3-chloropropyl)-1-methylazetidine
SMILESCN1CCC1CCCCl
InChIInChI=1S/C7H14ClN/c1-9-6-4-7(9)3-2-5-8/h7H,2-6H2,1H3
InChIKeyFGOIDOKUUSFUJX-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.71
Rot. Bonds3

About 2-(3-chloropropyl)-1-methylazetidine

2-(3-chloropropyl)-1-methylazetidine (PubChem CID 176925316) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-methylazetidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-methylazetidine
PubChem CID176925316
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name2-(3-chloropropyl)-1-methylazetidine
SMILESCN1CCC1CCCCl
InChIInChI=1S/C7H14ClN/c1-9-6-4-7(9)3-2-5-8/h7H,2-6H2,1H3
InChIKeyFGOIDOKUUSFUJX-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(3-chloropropyl)-1-methylazetidine 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-chloropropyl)-1-methylazetidine?
The IUPAC name of 2-(3-chloropropyl)-1-methylazetidine (CID 176925316) is 2-(3-chloropropyl)-1-methylazetidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-methylazetidine?
The canonical SMILES for 2-(3-chloropropyl)-1-methylazetidine is CN1CCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-methylazetidine?
The InChIKey is FGOIDOKUUSFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-9-6-4-7(9)3-2-5-8/h7H,2-6H2,1H3.
What are the key properties of 2-(3-chloropropyl)-1-methylazetidine?
2-(3-chloropropyl)-1-methylazetidine has a molecular weight of 147.65 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-methylazetidine is sourced from PubChem (CID 176925316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).