N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

C9H17F3N2O — CID 62257566

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC(F)(F)F)CC1(CN)CCOC1
InChIInChI=1S/C9H17F3N2O/c1-14(6-9(10,11)12)5-8(4-13)2-3-15-7-8/h2-7,13H2,1H3
InChIKeyGYOWRNCYGLBMBY-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.85
Rot. Bonds4

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 62257566) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID62257566
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC(F)(F)F)CC1(CN)CCOC1
InChIInChI=1S/C9H17F3N2O/c1-14(6-9(10,11)12)5-8(4-13)2-3-15-7-8/h2-7,13H2,1H3
InChIKeyGYOWRNCYGLBMBY-UHFFFAOYSA-N
XLogP0.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 62257566) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is CN(CC(F)(F)F)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is GYOWRNCYGLBMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(6-9(10,11)12)5-8(4-13)2-3-15-7-8/h2-7,13H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 226.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 62257566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).