1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone

C11H22N2O2 — CID 3229605

IUPAC1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-15-9-6-12-10-11(14)13-7-4-2-3-5-8-13/h12H,2-10H2,1H3
InChIKeyLDRHFWUJOBTSJX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone

1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 3229605) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID3229605
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-15-9-6-12-10-11(14)13-7-4-2-3-5-8-13/h12H,2-10H2,1H3
InChIKeyLDRHFWUJOBTSJX-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
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 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone (CID 3229605) is 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is LDRHFWUJOBTSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-15-9-6-12-10-11(14)13-7-4-2-3-5-8-13/h12H,2-10H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone?
1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 3229605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).