2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine

C13H25F3N2O — CID 55051448

IUPAC2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCN(CC(F)(F)F)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C13H25F3N2O/c1-11(2,3)17-7-12(5-6-19-10-12)8-18(4)9-13(14,15)16/h17H,5-10H2,1-4H3
InChIKeyNDZNZOHOFHQIHS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds5

About 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 55051448) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID55051448
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCN(CC(F)(F)F)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C13H25F3N2O/c1-11(2,3)17-7-12(5-6-19-10-12)8-18(4)9-13(14,15)16/h17H,5-10H2,1-4H3
InChIKeyNDZNZOHOFHQIHS-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (CID 55051448) is 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is CN(CC(F)(F)F)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is NDZNZOHOFHQIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(2,3)17-7-12(5-6-19-10-12)8-18(4)9-13(14,15)16/h17H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55051448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).