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

C11H21F3N2O — CID 103059100

IUPAC3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
SMILESCC(C)N(CC1COCCC1N)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(2)16(7-11(12,13)14)5-9-6-17-4-3-10(9)15/h8-10H,3-7,15H2,1-2H3
InChIKeyGLFWCBRGVSLNMW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds4

About 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine

3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine (PubChem CID 103059100) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
PubChem CID103059100
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
SMILESCC(C)N(CC1COCCC1N)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(2)16(7-11(12,13)14)5-9-6-17-4-3-10(9)15/h8-10H,3-7,15H2,1-2H3
InChIKeyGLFWCBRGVSLNMW-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine (CID 103059100) is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The canonical SMILES for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine is CC(C)N(CC1COCCC1N)CC(F)(F)F.
What is the InChIKey of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The InChIKey is GLFWCBRGVSLNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(2)16(7-11(12,13)14)5-9-6-17-4-3-10(9)15/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103059100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).