1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone

C13H26N2O2 — CID 119792047

IUPAC1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CC(C)CCCC1C
InChIInChI=1S/C13H26N2O2/c1-11-5-4-6-12(2)15(10-11)13(16)9-14-7-8-17-3/h11-12,14H,4-10H2,1-3H3
InChIKeyHENKOTRUSPPTNU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone

1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 119792047) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID119792047
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CC(C)CCCC1C
InChIInChI=1S/C13H26N2O2/c1-11-5-4-6-12(2)15(10-11)13(16)9-14-7-8-17-3/h11-12,14H,4-10H2,1-3H3
InChIKeyHENKOTRUSPPTNU-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
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

2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride
CID 119792028
2-(2-methoxyethylamino)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119851436
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685569
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853
2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride
CID 119784924
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone (CID 119792047) is 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CC(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is HENKOTRUSPPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-5-4-6-12(2)15(10-11)13(16)9-14-7-8-17-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone?
1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119792047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).