7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H20FN3O — CID 79505361

IUPAC7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CC2(CCO1)CN=C(N)N2c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-2-13-9-15(7-8-20-13)10-18-14(17)19(15)12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3,(H2,17,18)
InChIKeyMGUDOAUGAVKMTJ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.29
Rot. Bonds2

About 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505361) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505361
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CC2(CCO1)CN=C(N)N2c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-2-13-9-15(7-8-20-13)10-18-14(17)19(15)12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3,(H2,17,18)
InChIKeyMGUDOAUGAVKMTJ-UHFFFAOYSA-N
XLogP2.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505361) is 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC1CC2(CCO1)CN=C(N)N2c1ccc(F)cc1.
What is the InChIKey of 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is MGUDOAUGAVKMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-13-9-15(7-8-20-13)10-18-14(17)19(15)12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3,(H2,17,18).
What are the key properties of 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).