N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H21F3N2O — CID 54961972

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCN1CCC(CNCCCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-16-5-3-10(8-16)7-15-4-2-6-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyYSWQQCUCYUDYKA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds7

About N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 54961972) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID54961972
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCN1CCC(CNCCCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-16-5-3-10(8-16)7-15-4-2-6-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyYSWQQCUCYUDYKA-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)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-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 54961972) is N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CN1CCC(CNCCCOCC(F)(F)F)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is YSWQQCUCYUDYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16-5-3-10(8-16)7-15-4-2-6-17-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 54961972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).