1-(azepan-4-yl)-2-(diethylamino)ethanone

C12H24N2O — CID 115007037

IUPAC1-(azepan-4-yl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)C1CCCNCC1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)10-12(15)11-6-5-8-13-9-7-11/h11,13H,3-10H2,1-2H3
InChIKeyCNMZEBPUWQADPC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.29
Rot. Bonds5

About 1-(azepan-4-yl)-2-(diethylamino)ethanone

1-(azepan-4-yl)-2-(diethylamino)ethanone (PubChem CID 115007037) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(azepan-4-yl)-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-4-yl)-2-(diethylamino)ethanone
PubChem CID115007037
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(azepan-4-yl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)C1CCCNCC1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)10-12(15)11-6-5-8-13-9-7-11/h11,13H,3-10H2,1-2H3
InChIKeyCNMZEBPUWQADPC-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-piperidin-4-ylethanone
CID 115006957
1-(azepan-4-yl)-2-methylsulfanylethanone
CID 115017399
1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 104750812
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
1-cyclohexyl-2-[ethyl(2-methylpropyl)amino]ethanone
CID 104750015
1-cyclohexyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 104750584
1-(azepan-4-yl)-2-piperidin-1-ylethanone
CID 115007035
2-[(2-cyclohexyl-2-oxoethyl)-ethylamino]-N-ethylacetamide
CID 104750581
(4S)-azepane-4-carboxylic acid
CID 59261053
methyl (4R)-azepane-4-carboxylate
CID 45090253
N,N-diethylpiperidine-3-carboxamide
CID 18793
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-2-(diethylamino)ethanone?
The IUPAC name of 1-(azepan-4-yl)-2-(diethylamino)ethanone (CID 115007037) is 1-(azepan-4-yl)-2-(diethylamino)ethanone.
What is the SMILES notation for 1-(azepan-4-yl)-2-(diethylamino)ethanone?
The canonical SMILES for 1-(azepan-4-yl)-2-(diethylamino)ethanone is CCN(CC)CC(=O)C1CCCNCC1.
What is the InChIKey of 1-(azepan-4-yl)-2-(diethylamino)ethanone?
The InChIKey is CNMZEBPUWQADPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-14(4-2)10-12(15)11-6-5-8-13-9-7-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-(azepan-4-yl)-2-(diethylamino)ethanone?
1-(azepan-4-yl)-2-(diethylamino)ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-yl)-2-(diethylamino)ethanone is sourced from PubChem (CID 115007037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).