2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3N3O — CID 120772056

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C11H20F3N3O/c1-10(6-15)3-4-17(7-10)5-9(18)16(2)8-11(12,13)14/h3-8,15H2,1-2H3
InChIKeyGRQMOJDQMWSPQF-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.68
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 120772056) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID120772056
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C11H20F3N3O/c1-10(6-15)3-4-17(7-10)5-9(18)16(2)8-11(12,13)14/h3-8,15H2,1-2H3
InChIKeyGRQMOJDQMWSPQF-UHFFFAOYSA-N
XLogP0.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
CID 120773771
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 120773429
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79328008
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773926
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120773223
2-(2,6-dimethylmorpholin-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87012335
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 120772245
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 120774605
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
CID 120772051

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 120772056) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GRQMOJDQMWSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-10(6-15)3-4-17(7-10)5-9(18)16(2)8-11(12,13)14/h3-8,15H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 120772056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).