3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine

C16H28F3NO — CID 115517265

IUPAC3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C16H28F3NO/c1-2-21-14-12-13(15(14)8-4-3-5-9-15)20-11-7-6-10-16(17,18)19/h13-14,20H,2-12H2,1H3
InChIKeyHSVFMZJLRRPEGI-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.44
Rot. Bonds7

About 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine (PubChem CID 115517265) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine
PubChem CID115517265
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C16H28F3NO/c1-2-21-14-12-13(15(14)8-4-3-5-9-15)20-11-7-6-10-16(17,18)19/h13-14,20H,2-12H2,1H3
InChIKeyHSVFMZJLRRPEGI-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
2-(Difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane
CID 170771444
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 55106643
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
CID 62724375
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 62724587
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
CID 62724788
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100729
2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100931
2-propyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100967
2-propan-2-yl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101368

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine (CID 115517265) is 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCCCCC(F)(F)F)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine?
The InChIKey is HSVFMZJLRRPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-2-21-14-12-13(15(14)8-4-3-5-9-15)20-11-7-6-10-16(17,18)19/h13-14,20H,2-12H2,1H3.
What are the key properties of 3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.44, 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[3.5]nonan-1-amine is sourced from PubChem (CID 115517265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).