5-(2-methoxyethoxy)-2,6-dimethylazepane

C11H23NO2 — CID 169236804

IUPAC5-(2-methoxyethoxy)-2,6-dimethylazepane
SMILESCOCCOC1CCC(C)NCC1C
InChIInChI=1S/C11H23NO2/c1-9-8-12-10(2)4-5-11(9)14-7-6-13-3/h9-12H,4-8H2,1-3H3
InChIKeyHPGBVNWQFBYYFJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds4

About 5-(2-methoxyethoxy)-2,6-dimethylazepane

5-(2-methoxyethoxy)-2,6-dimethylazepane (PubChem CID 169236804) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-2,6-dimethylazepane.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-2,6-dimethylazepane
PubChem CID169236804
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-(2-methoxyethoxy)-2,6-dimethylazepane
SMILESCOCCOC1CCC(C)NCC1C
InChIInChI=1S/C11H23NO2/c1-9-8-12-10(2)4-5-11(9)14-7-6-13-3/h9-12H,4-8H2,1-3H3
InChIKeyHPGBVNWQFBYYFJ-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
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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Related Compounds

(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine
CID 99994836
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
2-[4-(3-methoxypropoxy)-3-methylpyrrolidin-2-yl]acetic acid
CID 123947260
N-(2-methoxyethylsulfamoyl)-6-methylpiperidin-3-amine
CID 114815036
2-methoxy-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007616
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
2-(2-methoxyethoxy)bicyclo[2.2.1]heptane
CID 12652893

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-2,6-dimethylazepane?
The IUPAC name of 5-(2-methoxyethoxy)-2,6-dimethylazepane (CID 169236804) is 5-(2-methoxyethoxy)-2,6-dimethylazepane.
What is the SMILES notation for 5-(2-methoxyethoxy)-2,6-dimethylazepane?
The canonical SMILES for 5-(2-methoxyethoxy)-2,6-dimethylazepane is COCCOC1CCC(C)NCC1C.
What is the InChIKey of 5-(2-methoxyethoxy)-2,6-dimethylazepane?
The InChIKey is HPGBVNWQFBYYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-8-12-10(2)4-5-11(9)14-7-6-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 5-(2-methoxyethoxy)-2,6-dimethylazepane?
5-(2-methoxyethoxy)-2,6-dimethylazepane has a molecular weight of 201.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-2,6-dimethylazepane is sourced from PubChem (CID 169236804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).