2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine

C15H27F3N2O — CID 79911555

IUPAC2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCC2CCN(CC(F)(F)F)C2)C(C)(C)O1
InChIInChI=1S/C15H27F3N2O/c1-13(2)7-12(14(3,4)21-13)19-8-11-5-6-20(9-11)10-15(16,17)18/h11-12,19H,5-10H2,1-4H3
InChIKeyJHEVLRYWDBIULA-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine (PubChem CID 79911555) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
PubChem CID79911555
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCC2CCN(CC(F)(F)F)C2)C(C)(C)O1
InChIInChI=1S/C15H27F3N2O/c1-13(2)7-12(14(3,4)21-13)19-8-11-5-6-20(9-11)10-15(16,17)18/h11-12,19H,5-10H2,1-4H3
InChIKeyJHEVLRYWDBIULA-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine (CID 79911555) is 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine is CC1(C)CC(NCC2CCN(CC(F)(F)F)C2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The InChIKey is JHEVLRYWDBIULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-13(2)7-12(14(3,4)21-13)19-8-11-5-6-20(9-11)10-15(16,17)18/h11-12,19H,5-10H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 79911555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).