3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine

C15H26F3NO — CID 115517615

IUPAC3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCCC(F)(F)F)C12CCCC2
InChIInChI=1S/C15H26F3NO/c1-2-20-13-11-12(14(13)7-3-4-8-14)19-10-6-5-9-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyYKROLMKKFQBOBQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds7

About 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine (PubChem CID 115517615) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
PubChem CID115517615
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCCC(F)(F)F)C12CCCC2
InChIInChI=1S/C15H26F3NO/c1-2-20-13-11-12(14(13)7-3-4-8-14)19-10-6-5-9-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyYKROLMKKFQBOBQ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-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

Related Compounds

3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 65295475
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine (CID 115517615) is 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine is CCOC1CC(NCCCCC(F)(F)F)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine?
The InChIKey is YKROLMKKFQBOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-20-13-11-12(14(13)7-3-4-8-14)19-10-6-5-9-15(16,17)18/h12-13,19H,2-11H2,1H3.
What are the key properties of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 115517615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).