2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone

C12H24N2O2 — CID 119789471

IUPAC2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(OCCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-7-16-11-4-6-14(9-11)12(15)8-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyLBOBOAQPHUKFIY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds6

About 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone

2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone (PubChem CID 119789471) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
PubChem CID119789471
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(OCCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-7-16-11-4-6-14(9-11)12(15)8-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyLBOBOAQPHUKFIY-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl)-2-(methylamino)ethan-1-one
CID 121203293
1-[(3R)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129502171
1-[(3S)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129502172
N-(3-methylbutyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 2856030
N-ethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]acetamide
CID 71859659
2-(dimethylamino)-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 118551796
N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-ylacetamide
CID 134428072
N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide
CID 139628744
1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 141149208
methyl N-[(2S)-1-[(3S)-3-ethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 141387575
2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 142949235
N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide
CID 142949248

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone (CID 119789471) is 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone is CNCC(=O)N1CCC(OCCC(C)C)C1.
What is the InChIKey of 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is LBOBOAQPHUKFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)5-7-16-11-4-6-14(9-11)12(15)8-13-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone?
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119789471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).