N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine

C13H25F3N2O — CID 62390969

IUPACN-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCC1(CN(CC)CC(F)(F)F)CCOCC1
InChIInChI=1S/C13H25F3N2O/c1-3-17-9-12(5-7-19-8-6-12)10-18(4-2)11-13(14,15)16/h17H,3-11H2,1-2H3
InChIKeyNHGQBTSTPOCPFR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds7

About N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine

N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 62390969) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine
PubChem CID62390969
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCC1(CN(CC)CC(F)(F)F)CCOCC1
InChIInChI=1S/C13H25F3N2O/c1-3-17-9-12(5-7-19-8-6-12)10-18(4-2)11-13(14,15)16/h17H,3-11H2,1-2H3
InChIKeyNHGQBTSTPOCPFR-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 55051447
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine
CID 55055941
1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 55065983
N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066332
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 55066527
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55066529
2,2-diethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55106897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine (CID 62390969) is N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine is CCNCC1(CN(CC)CC(F)(F)F)CCOCC1.
What is the InChIKey of N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is NHGQBTSTPOCPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-17-9-12(5-7-19-8-6-12)10-18(4-2)11-13(14,15)16/h17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine?
N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62390969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).