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

C13H25F3N2O — CID 63741554

IUPACN-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCNCC1(CN(CC(F)(F)F)C(C)C)CCCOC1
InChIInChI=1S/C13H25F3N2O/c1-11(2)18(9-13(14,15)16)8-12(7-17-3)5-4-6-19-10-12/h11,17H,4-10H2,1-3H3
InChIKeyXPWZSLKLJMKMPA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds6

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

N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 63741554) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID63741554
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCNCC1(CN(CC(F)(F)F)C(C)C)CCCOC1
InChIInChI=1S/C13H25F3N2O/c1-11(2)18(9-13(14,15)16)8-12(7-17-3)5-4-6-19-10-12/h11,17H,4-10H2,1-3H3
InChIKeyXPWZSLKLJMKMPA-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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)propan-2-amine?
The IUPAC name of N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 63741554) is N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CNCC1(CN(CC(F)(F)F)C(C)C)CCCOC1.
What is the InChIKey of N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is XPWZSLKLJMKMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(2)18(9-13(14,15)16)8-12(7-17-3)5-4-6-19-10-12/h11,17H,4-10H2,1-3H3.
What are the key properties of N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 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)propan-2-amine is sourced from PubChem (CID 63741554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).