N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C13H23F3N2O — CID 63739609

IUPACN-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C13H23F3N2O/c1-17-7-12(5-2-6-19-10-12)8-18(11-3-4-11)9-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyYCFPCSVUHKFYBS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds6

About N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 63739609) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID63739609
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C13H23F3N2O/c1-17-7-12(5-2-6-19-10-12)8-18(11-3-4-11)9-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyYCFPCSVUHKFYBS-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 63739609) is N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1.
What is the InChIKey of N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is YCFPCSVUHKFYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-17-7-12(5-2-6-19-10-12)8-18(11-3-4-11)9-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 63739609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).