2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine

C14H26FNO2 — CID 107443542

IUPAC2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26FNO2/c1-10(2)12(8-16)13(15)11-3-5-18-14(7-11)4-6-17-9-14/h10-13H,3-9,16H2,1-2H3
InChIKeyVUWQUTUUKCSNEF-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.14
Rot. Bonds4

About 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine

2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine (PubChem CID 107443542) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
PubChem CID107443542
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26FNO2/c1-10(2)12(8-16)13(15)11-3-5-18-14(7-11)4-6-17-9-14/h10-13H,3-9,16H2,1-2H3
InChIKeyVUWQUTUUKCSNEF-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
CID 79914929
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
CID 79953297
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
3-Fluoro-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 104277094
3-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-fluoropropan-1-amine
CID 104277119
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluoropropan-1-amine
CID 104277145
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
2-[Fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine
CID 107443728
2-[Fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
CID 107443837
2-[1,9-Dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443839
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine
CID 112562373

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine (CID 107443542) is 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine?
The InChIKey is VUWQUTUUKCSNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-10(2)12(8-16)13(15)11-3-5-18-14(7-11)4-6-17-9-14/h10-13H,3-9,16H2,1-2H3.
What are the key properties of 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine?
2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).