N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C13H23F3N2O — CID 62256730

IUPACN-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCN(CC(F)(F)F)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C13H23F3N2O/c1-2-18(9-13(14,15)16)8-12(5-6-19-10-12)7-17-11-3-4-11/h11,17H,2-10H2,1H3
InChIKeyRCAKLMPXMLFILE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds7

About N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62256730) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62256730
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCN(CC(F)(F)F)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C13H23F3N2O/c1-2-18(9-13(14,15)16)8-12(5-6-19-10-12)7-17-11-3-4-11/h11,17H,2-10H2,1H3
InChIKeyRCAKLMPXMLFILE-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62256730) is N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CCN(CC(F)(F)F)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is RCAKLMPXMLFILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-18(9-13(14,15)16)8-12(5-6-19-10-12)7-17-11-3-4-11/h11,17H,2-10H2,1H3.
What are the key properties of N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62256730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).