1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine

C8H15F3N2O — CID 82710543

IUPAC1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
SMILESCC1CC(NOCC(F)(F)F)CN1C
InChIInChI=1S/C8H15F3N2O/c1-6-3-7(4-13(6)2)12-14-5-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyAOFSSQXAMXFEHL-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.16
Rot. Bonds3

About 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine

1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine (PubChem CID 82710543) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
PubChem CID82710543
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
SMILESCC1CC(NOCC(F)(F)F)CN1C
InChIInChI=1S/C8H15F3N2O/c1-6-3-7(4-13(6)2)12-14-5-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyAOFSSQXAMXFEHL-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710642
1-cyclopropyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710656
1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710876
1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
CID 82711133
1-methyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82711326
1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
CID 82712648
4,4,4-Trifluoro-3-(1,2-oxazolidin-2-yl)butan-2-amine
CID 104101338
1,1,1-Trifluoro-2-(1,2-oxazolidin-2-yl)pentan-3-amine
CID 104101508
1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 106639093
2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 107911835
1-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 116235836
N-ethoxy-1-propan-2-ylpyrrolidin-3-amine
CID 82709010

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine (CID 82710543) is 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine is CC1CC(NOCC(F)(F)F)CN1C.
What is the InChIKey of 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The InChIKey is AOFSSQXAMXFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-6-3-7(4-13(6)2)12-14-5-8(9,10)11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine has a molecular weight of 212.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 82710543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).