4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine

C15H28FNO2 — CID 103392686

IUPAC4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28FNO2/c1-18-12-15(16,8-4-9-17)13-5-10-19-14(11-13)6-2-3-7-14/h13H,2-12,17H2,1H3
InChIKeySDDJAGIDWPDQHY-UHFFFAOYSA-N
MW273.39 g/mol
LogP2.82
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine (PubChem CID 103392686) has the molecular formula C15H28FNO2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
PubChem CID103392686
Molecular FormulaC15H28FNO2
Molecular Weight273.39 g/mol
Exact Mass273.21
IUPAC Name4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28FNO2/c1-18-12-15(16,8-4-9-17)13-5-10-19-14(11-13)6-2-3-7-14/h13H,2-12,17H2,1H3
InChIKeySDDJAGIDWPDQHY-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-Oxaspiro[4.5]decan-9-yl] ethylamine
CID 79920888
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
4-Fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
CID 103392450
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
CID 103392598
4-Fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
3-Fluoro-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 104277094
2-[2,6-Dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443542
2-[Fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443679

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine (CID 103392686) is 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine is COCC(F)(CCCN)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine?
The InChIKey is SDDJAGIDWPDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO2/c1-18-12-15(16,8-4-9-17)13-5-10-19-14(11-13)6-2-3-7-14/h13H,2-12,17H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine has a molecular weight of 273.39 g/mol, XLogP of 2.82, 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-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine is sourced from PubChem (CID 103392686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).