3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one

C12H24N2O — CID 79395842

IUPAC3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)CCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-11(2)12(15)10-13(3)8-9-14-6-4-5-7-14/h11H,4-10H2,1-3H3
InChIKeyITDFPUPDMBIAPH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds6

About 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one

3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one (PubChem CID 79395842) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
PubChem CID79395842
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)CCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-11(2)12(15)10-13(3)8-9-14-6-4-5-7-14/h11H,4-10H2,1-3H3
InChIKeyITDFPUPDMBIAPH-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
2-[2-(4,7-dimethyl-1,4,7-triazonan-1-yl)ethyl-methylamino]acetic acid
CID 178078829
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 75392697
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde
CID 63207778
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63211201
2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-7-[2-[carboxymethyl(methyl)amino]ethyl]-1,4,7-triazonan-1-yl]ethyl-methylamino]acetic acid
CID 122492628
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
CID 60840141

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one?
The IUPAC name of 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one (CID 79395842) is 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one?
The canonical SMILES for 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one is CC(C)C(=O)CN(C)CCN1CCCC1.
What is the InChIKey of 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one?
The InChIKey is ITDFPUPDMBIAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)12(15)10-13(3)8-9-14-6-4-5-7-14/h11H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one?
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one is sourced from PubChem (CID 79395842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).