2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone

C12H24N2O2 — CID 79290556

IUPAC2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCOCCNCC(=O)N1CCCC1C(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)11-5-4-7-14(11)12(15)9-13-6-8-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyDEIAKKYKONRQHE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone

2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 79290556) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID79290556
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCOCCNCC(=O)N1CCCC1C(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)11-5-4-7-14(11)12(15)9-13-6-8-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyDEIAKKYKONRQHE-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
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-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685569
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119766501

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone (CID 79290556) is 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone is COCCNCC(=O)N1CCCC1C(C)C.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is DEIAKKYKONRQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)11-5-4-7-14(11)12(15)9-13-6-8-16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79290556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).