3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one

C14H28N2O2 — CID 111496494

IUPAC3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCCN(CCC(=O)N1CCCC1C)CC(C)(C)O
InChIInChI=1S/C14H28N2O2/c1-5-15(11-14(3,4)18)10-8-13(17)16-9-6-7-12(16)2/h12,18H,5-11H2,1-4H3
InChIKeyUNOUBUKYENNMIV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.48
Rot. Bonds6

About 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 111496494) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one
PubChem CID111496494
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCCN(CCC(=O)N1CCCC1C)CC(C)(C)O
InChIInChI=1S/C14H28N2O2/c1-5-15(11-14(3,4)18)10-8-13(17)16-9-6-7-12(16)2/h12,18H,5-11H2,1-4H3
InChIKeyUNOUBUKYENNMIV-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54900105
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 79662090
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
CID 71416331

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one (CID 111496494) is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one is CCN(CCC(=O)N1CCCC1C)CC(C)(C)O.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is UNOUBUKYENNMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-15(11-14(3,4)18)10-8-13(17)16-9-6-7-12(16)2/h12,18H,5-11H2,1-4H3.
What are the key properties of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 111496494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).