2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane

C12H25NO2 — CID 141301647

IUPAC2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane
SMILESCOCCOCCC1(C)CCCCCN1
InChIInChI=1S/C12H25NO2/c1-12(6-4-3-5-8-13-12)7-9-15-11-10-14-2/h13H,3-11H2,1-2H3
InChIKeyCGYMRUDRILWYBC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane

2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane (PubChem CID 141301647) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane
PubChem CID141301647
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane
SMILESCOCCOCCC1(C)CCCCCN1
InChIInChI=1S/C12H25NO2/c1-12(6-4-3-5-8-13-12)7-9-15-11-10-14-2/h13H,3-11H2,1-2H3
InChIKeyCGYMRUDRILWYBC-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane (CID 141301647) is 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane is COCCOCCC1(C)CCCCCN1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane?
The InChIKey is CGYMRUDRILWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(6-4-3-5-8-13-12)7-9-15-11-10-14-2/h13H,3-11H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane?
2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane has a molecular weight of 215.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-2-methylazepane is sourced from PubChem (CID 141301647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).