1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone

C9H18N2O2 — CID 131141980

IUPAC1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(N)C(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2)6-11(4-7(9)10)8(12)5-13-3/h7H,4-6,10H2,1-3H3
InChIKeyOLMKCFICHUWZNU-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds2

About 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone

1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone (PubChem CID 131141980) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone
PubChem CID131141980
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(N)C(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2)6-11(4-7(9)10)8(12)5-13-3/h7H,4-6,10H2,1-3H3
InChIKeyOLMKCFICHUWZNU-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 165448568
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129351165
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131208761
(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one
CID 129496542
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
1-(3-amino-4-ethylpiperidin-1-yl)-2-methoxyethanone
CID 165440680
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
CID 120817634
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 61277574
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
1-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 130657748
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone (CID 131141980) is 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone is COCC(=O)N1CC(N)C(C)(C)C1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
The InChIKey is OLMKCFICHUWZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)6-11(4-7(9)10)8(12)5-13-3/h7H,4-6,10H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone has a molecular weight of 186.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 131141980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).