N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H23F3N2O — CID 62425940

IUPACN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CCC(CNC)O1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-6-17(9-12(13,14)15)8-11-5-4-10(18-11)7-16-2/h10-11,16H,3-9H2,1-2H3
InChIKeyKZVWSVGNWXETJN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds7

About N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62425940) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62425940
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CCC(CNC)O1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-6-17(9-12(13,14)15)8-11-5-4-10(18-11)7-16-2/h10-11,16H,3-9H2,1-2H3
InChIKeyKZVWSVGNWXETJN-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine 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-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62425940) is N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC1CCC(CNC)O1)CC(F)(F)F.
What is the InChIKey of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is KZVWSVGNWXETJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-6-17(9-12(13,14)15)8-11-5-4-10(18-11)7-16-2/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 268.32 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-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62425940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).