2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one

C12H25N3O2 — CID 81465305

IUPAC2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9-7-15(8-11(9)14(2)3)12(16)10(13)5-6-17-4/h9-11H,5-8,13H2,1-4H3
InChIKeyAFZTUULVHUBZSW-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.24
Rot. Bonds5

About 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one

2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one (PubChem CID 81465305) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one
PubChem CID81465305
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9-7-15(8-11(9)14(2)3)12(16)10(13)5-6-17-4/h9-11H,5-8,13H2,1-4H3
InChIKeyAFZTUULVHUBZSW-UHFFFAOYSA-N
XLogP-0.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]hexan-1-one
CID 81465315
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methylsulfonylbutan-1-one
CID 81464234
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
(2S,3S)-2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-methylpentan-1-one
CID 81463691
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
2-bromo-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propan-1-one
CID 107905567
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 104685422
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one (CID 81465305) is 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one is COCCC(N)C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one?
The InChIKey is AFZTUULVHUBZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9-7-15(8-11(9)14(2)3)12(16)10(13)5-6-17-4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one?
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one is sourced from PubChem (CID 81465305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).