N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

C14H24F3NO — CID 79952767

IUPACN-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24F3NO/c1-2-18-12(4-8-14(15,16)17)11-5-9-19-13(10-11)6-3-7-13/h11-12,18H,2-10H2,1H3
InChIKeyFZGVDEZYGIEUES-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (PubChem CID 79952767) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
PubChem CID79952767
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24F3NO/c1-2-18-12(4-8-14(15,16)17)11-5-9-19-13(10-11)6-3-7-13/h11-12,18H,2-10H2,1H3
InChIKeyFZGVDEZYGIEUES-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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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016756
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-ethyl-2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016200
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103559593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (CID 79952767) is N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The InChIKey is FZGVDEZYGIEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-18-12(4-8-14(15,16)17)11-5-9-19-13(10-11)6-3-7-13/h11-12,18H,2-10H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-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 N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is sourced from PubChem (CID 79952767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).