N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane

C13H27F3N2O — CID 168883457

IUPACN-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane
SMILESCCNCC1NCCC1(C)CC.CCOC(F)(F)F
InChIInChI=1S/C10H22N2.C3H5F3O/c1-4-10(3)6-7-12-9(10)8-11-5-2;1-2-7-3(4,5)6/h9,11-12H,4-8H2,1-3H3;2H2,1H3
InChIKeyDTICQZADZKWMCW-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.92
Rot. Bonds5

About N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane

N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane (PubChem CID 168883457) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane.

Molecular Properties

Compound NameN-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane
PubChem CID168883457
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC NameN-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane
SMILESCCNCC1NCCC1(C)CC.CCOC(F)(F)F
InChIInChI=1S/C10H22N2.C3H5F3O/c1-4-10(3)6-7-12-9(10)8-11-5-2;1-2-7-3(4,5)6/h9,11-12H,4-8H2,1-3H3;2H2,1H3
InChIKeyDTICQZADZKWMCW-UHFFFAOYSA-N
XLogP2.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334266
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172334325
N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-1,1,1-trifluoro-N-methylmethanamine
CID 172334584
N-ethyl-2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334627
ethane;N-methyl-2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334839
N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 172334849
N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335079
2-(3,3-dimethylpyrrolidin-2-yl)-N-methyl-N-(trifluoromethoxymethyl)ethanamine
CID 172335260
N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 172335272
N-[(4-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172335350
N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine;ethane
CID 172335403
N-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine;ethane
CID 172335455

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane?
The IUPAC name of N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane (CID 168883457) is N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane.
What is the SMILES notation for N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane?
The canonical SMILES for N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane is CCNCC1NCCC1(C)CC.CCOC(F)(F)F.
What is the InChIKey of N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane?
The InChIKey is DTICQZADZKWMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C3H5F3O/c1-4-10(3)6-7-12-9(10)8-11-5-2;1-2-7-3(4,5)6/h9,11-12H,4-8H2,1-3H3;2H2,1H3.
What are the key properties of N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane?
N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane has a molecular weight of 284.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane is sourced from PubChem (CID 168883457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).