8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane

C17H25FN2 — CID 79046966

IUPAC8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1cc(C)cc(F)c1
InChIInChI=1S/C17H25FN2/c1-3-15-11-19-17(6-4-5-7-17)12-20(15)16-9-13(2)8-14(18)10-16/h8-10,15,19H,3-7,11-12H2,1-2H3
InChIKeyJHDYYTPICJOPNR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.64
Rot. Bonds2

About 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane

8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 79046966) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
PubChem CID79046966
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1cc(C)cc(F)c1
InChIInChI=1S/C17H25FN2/c1-3-15-11-19-17(6-4-5-7-17)12-20(15)16-9-13(2)8-14(18)10-16/h8-10,15,19H,3-7,11-12H2,1-2H3
InChIKeyJHDYYTPICJOPNR-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane (CID 79046966) is 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1c1cc(C)cc(F)c1.
What is the InChIKey of 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is JHDYYTPICJOPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-3-15-11-19-17(6-4-5-7-17)12-20(15)16-9-13(2)8-14(18)10-16/h8-10,15,19H,3-7,11-12H2,1-2H3.
What are the key properties of 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 276.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 79046966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).