3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine

C15H27F3N2O — CID 64852896

IUPAC3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCN(CC(F)(F)F)C2)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-21-13-7-12(14(13,2)3)19-8-11-5-6-20(9-11)10-15(16,17)18/h11-13,19H,4-10H2,1-3H3
InChIKeyICOYIOZPUUDELL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.66
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine (PubChem CID 64852896) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
PubChem CID64852896
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCN(CC(F)(F)F)C2)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-21-13-7-12(14(13,2)3)19-8-11-5-6-20(9-11)10-15(16,17)18/h11-13,19H,4-10H2,1-3H3
InChIKeyICOYIOZPUUDELL-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine (CID 64852896) is 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine is CCOC1CC(NCC2CCN(CC(F)(F)F)C2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine?
The InChIKey is ICOYIOZPUUDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-4-21-13-7-12(14(13,2)3)19-8-11-5-6-20(9-11)10-15(16,17)18/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 64852896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).