N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine

C13H25F3N2O — CID 62426629

IUPACN-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCCN(CC1CCC(CNC(C)C)O1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-4-18(9-13(14,15)16)8-12-6-5-11(19-12)7-17-10(2)3/h10-12,17H,4-9H2,1-3H3
InChIKeyFUUNNJCHBXLPFN-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds7

About N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine

N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62426629) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62426629
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCCN(CC1CCC(CNC(C)C)O1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-4-18(9-13(14,15)16)8-12-6-5-11(19-12)7-17-10(2)3/h10-12,17H,4-9H2,1-3H3
InChIKeyFUUNNJCHBXLPFN-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62426629) is N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine is CCN(CC1CCC(CNC(C)C)O1)CC(F)(F)F.
What is the InChIKey of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is FUUNNJCHBXLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-4-18(9-13(14,15)16)8-12-6-5-11(19-12)7-17-10(2)3/h10-12,17H,4-9H2,1-3H3.
What are the key properties of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62426629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).