2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H24F3NO — CID 102900558

IUPAC2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24F3NO/c1-11(9-18-10-14(15,16)17)8-12-4-7-13(19-12)5-2-3-6-13/h11-12,18H,2-10H2,1H3
InChIKeyKQLFLECTBIQGKV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds5

About 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 102900558) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID102900558
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24F3NO/c1-11(9-18-10-14(15,16)17)8-12-4-7-13(19-12)5-2-3-6-13/h11-12,18H,2-10H2,1H3
InChIKeyKQLFLECTBIQGKV-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 102900558) is 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is KQLFLECTBIQGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-11(9-18-10-14(15,16)17)8-12-4-7-13(19-12)5-2-3-6-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 102900558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).