N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H19F3N2O — CID 102656854

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC1(OCCN(CC(F)(F)F)C2CC2)CNC1
InChIInChI=1S/C11H19F3N2O/c1-10(6-15-7-10)17-5-4-16(9-2-3-9)8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyIIHYEILKQZBWLR-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.39
Rot. Bonds6

About N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 102656854) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID102656854
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC1(OCCN(CC(F)(F)F)C2CC2)CNC1
InChIInChI=1S/C11H19F3N2O/c1-10(6-15-7-10)17-5-4-16(9-2-3-9)8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyIIHYEILKQZBWLR-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 102656854) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CC1(OCCN(CC(F)(F)F)C2CC2)CNC1.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is IIHYEILKQZBWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(6-15-7-10)17-5-4-16(9-2-3-9)8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 252.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 102656854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).