2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C14H26N2O2 — CID 86910436

IUPAC2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCCCC2)CC(C)O1
InChIInChI=1S/C14H26N2O2/c1-12-9-16(10-13(2)18-12)14(17)11-15-7-5-3-4-6-8-15/h12-13H,3-11H2,1-2H3
InChIKeyOYHUUGXKZIVDJN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds2

About 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 86910436) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID86910436
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCCCC2)CC(C)O1
InChIInChI=1S/C14H26N2O2/c1-12-9-16(10-13(2)18-12)14(17)11-15-7-5-3-4-6-8-15/h12-13H,3-11H2,1-2H3
InChIKeyOYHUUGXKZIVDJN-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 86910436) is 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCCCCC2)CC(C)O1.
What is the InChIKey of 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is OYHUUGXKZIVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12-9-16(10-13(2)18-12)14(17)11-15-7-5-3-4-6-8-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 86910436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).