4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine

C16H30FNO2 — CID 103392629

IUPAC4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30FNO2/c1-19-13-16(17,9-5-10-18)14-6-11-20-15(12-14)7-3-2-4-8-15/h14H,2-13,18H2,1H3
InChIKeyAVTJSOWGESMONY-UHFFFAOYSA-N
MW287.42 g/mol
LogP3.21
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine (PubChem CID 103392629) has the molecular formula C16H30FNO2 and a molecular weight of 287.42 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
PubChem CID103392629
Molecular FormulaC16H30FNO2
Molecular Weight287.42 g/mol
Exact Mass287.23
IUPAC Name4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30FNO2/c1-19-13-16(17,9-5-10-18)14-6-11-20-15(12-14)7-3-2-4-8-15/h14H,2-13,18H2,1H3
InChIKeyAVTJSOWGESMONY-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
3-Fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 104277008
2-[Fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine
CID 107443728
2-[1,9-Dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443839
2-Fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 112562583
2-Fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 112565045
2-(1,9-Dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine
CID 112565220
2-Fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 112565908

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine (CID 103392629) is 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine is COCC(F)(CCCN)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The InChIKey is AVTJSOWGESMONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO2/c1-19-13-16(17,9-5-10-18)14-6-11-20-15(12-14)7-3-2-4-8-15/h14H,2-13,18H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine has a molecular weight of 287.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine is sourced from PubChem (CID 103392629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).