2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine

C15H29F3N2O — CID 79913101

IUPAC2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN(C)CC(F)(F)F)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29F3N2O/c1-7-8-19-12-11(9-20(6)10-15(16,17)18)13(2,3)21-14(12,4)5/h11-12,19H,7-10H2,1-6H3
InChIKeyKFNDWLAGCSAPIV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds6

About 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine

2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine (PubChem CID 79913101) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine
PubChem CID79913101
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN(C)CC(F)(F)F)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29F3N2O/c1-7-8-19-12-11(9-20(6)10-15(16,17)18)13(2,3)21-14(12,4)5/h11-12,19H,7-10H2,1-6H3
InChIKeyKFNDWLAGCSAPIV-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine (CID 79913101) is 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine is CCCNC1C(CN(C)CC(F)(F)F)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is KFNDWLAGCSAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-7-8-19-12-11(9-20(6)10-15(16,17)18)13(2,3)21-14(12,4)5/h11-12,19H,7-10H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 310.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 79913101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).