2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

C14H27F3N2O — CID 62391312

IUPAC2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN(C)CC(F)(F)F)CCOCC1
InChIInChI=1S/C14H27F3N2O/c1-12(2)8-18-9-13(4-6-20-7-5-13)10-19(3)11-14(15,16)17/h12,18H,4-11H2,1-3H3
InChIKeyQONWXZBBNQSSIE-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.52
Rot. Bonds7

About 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62391312) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62391312
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN(C)CC(F)(F)F)CCOCC1
InChIInChI=1S/C14H27F3N2O/c1-12(2)8-18-9-13(4-6-20-7-5-13)10-19(3)11-14(15,16)17/h12,18H,4-11H2,1-3H3
InChIKeyQONWXZBBNQSSIE-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 62391312) is 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is CC(C)CNCC1(CN(C)CC(F)(F)F)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is QONWXZBBNQSSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-12(2)8-18-9-13(4-6-20-7-5-13)10-19(3)11-14(15,16)17/h12,18H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62391312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).