4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one

C13H26N2O2 — CID 114227484

IUPAC4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCCOC(CN)CC(=O)N1CCCC1C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-17-11(9-14)8-13(16)15-7-5-6-12(15)10(2)3/h10-12H,4-9,14H2,1-3H3
InChIKeyVMFLAICTJFZRAR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one

4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 114227484) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
PubChem CID114227484
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCCOC(CN)CC(=O)N1CCCC1C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-17-11(9-14)8-13(16)15-7-5-6-12(15)10(2)3/h10-12H,4-9,14H2,1-3H3
InChIKeyVMFLAICTJFZRAR-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104678353
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943
tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 106707539
1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide
CID 63072374
3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
CID 99808840
(1-aminocyclopentyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62059351
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one (CID 114227484) is 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one is CCOC(CN)CC(=O)N1CCCC1C(C)C.
What is the InChIKey of 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is VMFLAICTJFZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-11(9-14)8-13(16)15-7-5-6-12(15)10(2)3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 114227484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).