N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine

C15H26F3NO — CID 82793593

IUPACN-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C15H26F3NO/c1-2-19-12-11-13(14(12)7-4-3-5-8-14)20-10-6-9-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyYPYQMZAKWZQFFO-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds6

About N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine

N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine (PubChem CID 82793593) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
PubChem CID82793593
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C15H26F3NO/c1-2-19-12-11-13(14(12)7-4-3-5-8-14)20-10-6-9-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyYPYQMZAKWZQFFO-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine (CID 82793593) is N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine is CCNC1CC(OCCCC(F)(F)F)C12CCCCC2.
What is the InChIKey of N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
The InChIKey is YPYQMZAKWZQFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-19-12-11-13(14(12)7-4-3-5-8-14)20-10-6-9-15(16,17)18/h12-13,19H,2-11H2,1H3.
What are the key properties of N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 82793593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).