N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine

C13H24F3NO — CID 62723790

IUPACN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NO/c1-2-17-10-12(6-3-4-7-12)8-5-9-18-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyZUYPATGEOWELPY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.52
Rot. Bonds8

About N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine (PubChem CID 62723790) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine
PubChem CID62723790
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NO/c1-2-17-10-12(6-3-4-7-12)8-5-9-18-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyZUYPATGEOWELPY-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine 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-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine (CID 62723790) is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine is CCNCC1(CCCOCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine?
The InChIKey is ZUYPATGEOWELPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-17-10-12(6-3-4-7-12)8-5-9-18-11-13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine?
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62723790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).