1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

C15H21FN2O2 — CID 79911371

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H21FN2O2/c1-17-14(13-3-2-12(16)9-18-13)11-4-6-20-15(8-11)5-7-19-10-15/h2-3,9,11,14,17H,4-8,10H2,1H3
InChIKeyJYVCGCUSJYIZSL-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.07
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 79911371) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID79911371
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H21FN2O2/c1-17-14(13-3-2-12(16)9-18-13)11-4-6-20-15(8-11)5-7-19-10-15/h2-3,9,11,14,17H,4-8,10H2,1H3
InChIKeyJYVCGCUSJYIZSL-UHFFFAOYSA-N
XLogP2.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 79914297
1-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 79909223
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755659
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353
1-(4-bromo-3-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017006
1-(2,6-dimethyl-3-pyridinyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105170298
1-(2,5-dibromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017245
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105170316
1-(4-chloro-3-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017166
1-(3-bromo-2-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017007
[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258737
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105325620

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (CID 79911371) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is CNC(c1ccc(F)cn1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is JYVCGCUSJYIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17-14(13-3-2-12(16)9-18-13)11-4-6-20-15(8-11)5-7-19-10-15/h2-3,9,11,14,17H,4-8,10H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 280.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 79911371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).