4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine

C15H28FNO3 — CID 103392491

IUPAC4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28FNO3/c1-18-12-15(16,4-2-7-17)13-3-8-20-14(11-13)5-9-19-10-6-14/h13H,2-12,17H2,1H3
InChIKeyYNMUTDKECQRRRM-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.06
Rot. Bonds6

About 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine

4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392491) has the molecular formula C15H28FNO3 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392491
Molecular FormulaC15H28FNO3
Molecular Weight289.39 g/mol
Exact Mass289.21
IUPAC Name4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28FNO3/c1-18-12-15(16,4-2-7-17)13-3-8-20-14(11-13)5-9-19-10-6-14/h13H,2-12,17H2,1H3
InChIKeyYNMUTDKECQRRRM-UHFFFAOYSA-N
XLogP2.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
4-Fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392601
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
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-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-fluoropropan-1-amine
CID 104277119
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-(1,9-Dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine
CID 112562754
3-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine
CID 112564157

Frequently Asked Questions

What is the IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine (CID 103392491) is 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is YNMUTDKECQRRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO3/c1-18-12-15(16,4-2-7-17)13-3-8-20-14(11-13)5-9-19-10-6-14/h13H,2-12,17H2,1H3.
What are the key properties of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).