1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one

C10H20N2O2 — CID 165448568

IUPAC1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC(N)C(C)(C)C1
InChIInChI=1S/C10H20N2O2/c1-10(2)7-12(6-8(10)11)9(13)4-5-14-3/h8H,4-7,11H2,1-3H3
InChIKeyJPRCTFGWHGUFPF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one

1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one (PubChem CID 165448568) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one
PubChem CID165448568
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC(N)C(C)(C)C1
InChIInChI=1S/C10H20N2O2/c1-10(2)7-12(6-8(10)11)9(13)4-5-14-3/h8H,4-7,11H2,1-3H3
InChIKeyJPRCTFGWHGUFPF-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131141980
1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
CID 106671129
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620
1-[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-4-methoxybutan-1-one
CID 91306417
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one
CID 120817284
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 120815097
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
(2S)-2-amino-1-[(4R)-4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propan-1-one
CID 129496542
1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 165443963
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one (CID 165448568) is 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one is COCCC(=O)N1CC(N)C(C)(C)C1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is JPRCTFGWHGUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2)7-12(6-8(10)11)9(13)4-5-14-3/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one?
1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.22, 3 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)-3-methoxypropan-1-one is sourced from PubChem (CID 165448568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).