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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Related Compounds

3-(3-Fluorobutoxymethyl)-1-piperidin-4-ylpiperidine
CID 156735038
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride
CID 156735112
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 156735113
3-[(3,3-Difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735219
4,4-Difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 176694209
4,4-Difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane
CID 176694210
(3S,4S,5R)-3-fluoro-N,5-dimethyl-1-(oxan-4-yl)piperidin-4-amine
CID 176945950
(3R,4S,5R)-3-fluoro-N,5-dimethyl-1-(oxan-4-yl)piperidin-4-amine
CID 176945966
3-fluoro-N,5-dimethyl-1-(oxan-4-yl)piperidin-4-amine
CID 176946107
5-ethyl-2-methoxy-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 177721093
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 43753184
4,4,4-trifluoro-3-N-methyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 43753186

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).