N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C15H26F3NO2 — CID 103148249

IUPACN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26F3NO2/c1-19-13(5-8-20-11-15(16,17)18)12-4-9-21-14(10-12)6-2-3-7-14/h12-13,19H,2-11H2,1H3
InChIKeyKRLJQKPLTLMVHN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148249) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148249
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26F3NO2/c1-19-13(5-8-20-11-15(16,17)18)12-4-9-21-14(10-12)6-2-3-7-14/h12-13,19H,2-11H2,1H3
InChIKeyKRLJQKPLTLMVHN-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148249) is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KRLJQKPLTLMVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-19-13(5-8-20-11-15(16,17)18)12-4-9-21-14(10-12)6-2-3-7-14/h12-13,19H,2-11H2,1H3.
What are the key properties of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 309.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).