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

C11H21F3N2O — CID 55066527

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CC(F)(F)F)CC1(CN)CCOCC1
InChIInChI=1S/C11H21F3N2O/c1-2-16(9-11(12,13)14)8-10(7-15)3-5-17-6-4-10/h2-9,15H2,1H3
InChIKeyCKWWPMSALBWPTE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.63
Rot. Bonds5

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

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 55066527) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID55066527
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CC(F)(F)F)CC1(CN)CCOCC1
InChIInChI=1S/C11H21F3N2O/c1-2-16(9-11(12,13)14)8-10(7-15)3-5-17-6-4-10/h2-9,15H2,1H3
InChIKeyCKWWPMSALBWPTE-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 55066527) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(CC(F)(F)F)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is CKWWPMSALBWPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-16(9-11(12,13)14)8-10(7-15)3-5-17-6-4-10/h2-9,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55066527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).