N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C15H29F3N2O — CID 79912655

IUPACN,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(CC(F)(F)F)C(C)C)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29F3N2O/c1-10(2)20(9-15(16,17)18)8-11-12(19-7)14(5,6)21-13(11,3)4/h10-12,19H,8-9H2,1-7H3
InChIKeyUSAOWVIIGPQTDB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds5

About N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 79912655) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID79912655
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(CC(F)(F)F)C(C)C)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29F3N2O/c1-10(2)20(9-15(16,17)18)8-11-12(19-7)14(5,6)21-13(11,3)4/h10-12,19H,8-9H2,1-7H3
InChIKeyUSAOWVIIGPQTDB-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 79912655) is N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CNC1C(CN(CC(F)(F)F)C(C)C)C(C)(C)OC1(C)C.
What is the InChIKey of N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is USAOWVIIGPQTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-10(2)20(9-15(16,17)18)8-11-12(19-7)14(5,6)21-13(11,3)4/h10-12,19H,8-9H2,1-7H3.
What are the key properties of N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 310.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79912655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).