N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine

C15H26F3NO — CID 82795259

IUPACN-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine
SMILESCNC1CC(OCCCC(F)(F)F)C12CCCCCC2
InChIInChI=1S/C15H26F3NO/c1-19-12-11-13(20-10-6-9-15(16,17)18)14(12)7-4-2-3-5-8-14/h12-13,19H,2-11H2,1H3
InChIKeyVUVDXCZRGDVYPS-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds5

About N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine

N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine (PubChem CID 82795259) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine
PubChem CID82795259
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine
SMILESCNC1CC(OCCCC(F)(F)F)C12CCCCCC2
InChIInChI=1S/C15H26F3NO/c1-19-12-11-13(20-10-6-9-15(16,17)18)14(12)7-4-2-3-5-8-14/h12-13,19H,2-11H2,1H3
InChIKeyVUVDXCZRGDVYPS-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine (CID 82795259) is N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine is CNC1CC(OCCCC(F)(F)F)C12CCCCCC2.
What is the InChIKey of N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine?
The InChIKey is VUVDXCZRGDVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-19-12-11-13(20-10-6-9-15(16,17)18)14(12)7-4-2-3-5-8-14/h12-13,19H,2-11H2,1H3.
What are the key properties of N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine?
N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 82795259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).