N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

C13H23F3N2O — CID 62391143

IUPACN-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C13H23F3N2O/c1-18(10-13(14,15)16)9-12(4-6-19-7-5-12)8-17-11-2-3-11/h11,17H,2-10H2,1H3
InChIKeyWLFWWHVXLUYKCW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds6

About N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62391143) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62391143
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C13H23F3N2O/c1-18(10-13(14,15)16)9-12(4-6-19-7-5-12)8-17-11-2-3-11/h11,17H,2-10H2,1H3
InChIKeyWLFWWHVXLUYKCW-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62391143) is N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is CN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is WLFWWHVXLUYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-18(10-13(14,15)16)9-12(4-6-19-7-5-12)8-17-11-2-3-11/h11,17H,2-10H2,1H3.
What are the key properties of N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62391143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).