N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine

C10H19F3N2O — CID 103058993

IUPACN-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-14-9-3-4-16-6-8(9)5-15(2)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyAIBTXFSEDVGRHZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds4

About N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine

N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine (PubChem CID 103058993) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
PubChem CID103058993
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-14-9-3-4-16-6-8(9)5-15(2)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyAIBTXFSEDVGRHZ-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine (CID 103058993) is N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine is CNC1CCOCC1CN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The InChIKey is AIBTXFSEDVGRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-14-9-3-4-16-6-8(9)5-15(2)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103058993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).