3-(3-methoxypropoxy)azetidine;hydrochloride

C7H16ClNO2 — CID 67154482

IUPAC3-(3-methoxypropoxy)azetidine;hydrochloride
SMILESCOCCCOC1CNC1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-3-2-4-10-7-5-8-6-7;/h7-8H,2-6H2,1H3;1H
InChIKeyAJBPFIPNXRNTAN-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.43
Rot. Bonds5

About 3-(3-methoxypropoxy)azetidine;hydrochloride

3-(3-methoxypropoxy)azetidine;hydrochloride (PubChem CID 67154482) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxypropoxy)azetidine;hydrochloride
PubChem CID67154482
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name3-(3-methoxypropoxy)azetidine;hydrochloride
SMILESCOCCCOC1CNC1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-3-2-4-10-7-5-8-6-7;/h7-8H,2-6H2,1H3;1H
InChIKeyAJBPFIPNXRNTAN-UHFFFAOYSA-N
XLogP0.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)azetidine;hydrochloride?
The IUPAC name of 3-(3-methoxypropoxy)azetidine;hydrochloride (CID 67154482) is 3-(3-methoxypropoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(3-methoxypropoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(3-methoxypropoxy)azetidine;hydrochloride is COCCCOC1CNC1.Cl.
What is the InChIKey of 3-(3-methoxypropoxy)azetidine;hydrochloride?
The InChIKey is AJBPFIPNXRNTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-9-3-2-4-10-7-5-8-6-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 3-(3-methoxypropoxy)azetidine;hydrochloride?
3-(3-methoxypropoxy)azetidine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)azetidine;hydrochloride is sourced from PubChem (CID 67154482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).