1-(2-methoxyethyl)-2,6-dimethylazepane

C11H23NO — CID 126991337

IUPAC1-(2-methoxyethyl)-2,6-dimethylazepane
SMILESCOCCN1CC(C)CCCC1C
InChIInChI=1S/C11H23NO/c1-10-5-4-6-11(2)12(9-10)7-8-13-3/h10-11H,4-9H2,1-3H3
InChIKeyWFANDQPYTBEASC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-methoxyethyl)-2,6-dimethylazepane

1-(2-methoxyethyl)-2,6-dimethylazepane (PubChem CID 126991337) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,6-dimethylazepane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,6-dimethylazepane
PubChem CID126991337
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2-methoxyethyl)-2,6-dimethylazepane
SMILESCOCCN1CC(C)CCCC1C
InChIInChI=1S/C11H23NO/c1-10-5-4-6-11(2)12(9-10)7-8-13-3/h10-11H,4-9H2,1-3H3
InChIKeyWFANDQPYTBEASC-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2,6-dimethylazepane
CID 126990044
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
1-(2-methoxyethyl)-5-methyl-2-(oxan-4-yl)piperidine
CID 141155307
ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine
CID 154684230
1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine
CID 154684370
2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]ethanamine
CID 97002391
1-butyl-2,5-dimethylpiperidine
CID 130702123
1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119792047
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111098316
2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
CID 81210752

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,6-dimethylazepane?
The IUPAC name of 1-(2-methoxyethyl)-2,6-dimethylazepane (CID 126991337) is 1-(2-methoxyethyl)-2,6-dimethylazepane.
What is the SMILES notation for 1-(2-methoxyethyl)-2,6-dimethylazepane?
The canonical SMILES for 1-(2-methoxyethyl)-2,6-dimethylazepane is COCCN1CC(C)CCCC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,6-dimethylazepane?
The InChIKey is WFANDQPYTBEASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-5-4-6-11(2)12(9-10)7-8-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2,6-dimethylazepane?
1-(2-methoxyethyl)-2,6-dimethylazepane has a molecular weight of 185.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,6-dimethylazepane is sourced from PubChem (CID 126991337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).