2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone

C14H28N2O — CID 58666315

IUPAC2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
SMILESCC(C)CN(CC(=O)N1CCC[C@H]1C)C(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)9-15(12(3)4)10-14(17)16-8-6-7-13(16)5/h11-13H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyLJBAKGQIOPFTTL-CYBMUJFWSA-N
MW240.39 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone

2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone (PubChem CID 58666315) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
PubChem CID58666315
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
SMILESCC(C)CN(CC(=O)N1CCC[C@H]1C)C(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)9-15(12(3)4)10-14(17)16-8-6-7-13(16)5/h11-13H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyLJBAKGQIOPFTTL-CYBMUJFWSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)acetamide
CID 104577
1-[2-(diethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 53521612
1-[2-(dipropylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 53521650
1-acetyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 18943194
1-Acetyl-N,N-dimethyl-L-prolinamide
CID 22885084
N-methyl-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide
CID 71880434
N,N-dimethyl-2-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]amino]acetamide
CID 71914297
N-cyclopentyl-2-(diethylamino)-N-ethylacetamide
CID 78870168
1-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 97577775
(1-Acetylpyrrolidin-2-yl)methyl-(fluoromethyl)-dimethylazanium
CID 163789817
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158104
N-(1,5-Dimethylhexyl)-N-methyl-2-(pyrrolidinyl)acetamide, hydrochloride
CID 24832240

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone (CID 58666315) is 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone is CC(C)CN(CC(=O)N1CCC[C@H]1C)C(C)C.
What is the InChIKey of 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
The InChIKey is LJBAKGQIOPFTTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)9-15(12(3)4)10-14(17)16-8-6-7-13(16)5/h11-13H,6-10H2,1-5H3/t13-/m1/s1.
What are the key properties of 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone has a molecular weight of 240.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(propan-2-yl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 58666315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).