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

C15H20FN3O — CID 79513978

IUPAC1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CC2(CCO1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-14(2)9-15(6-7-20-14)10-18-13(17)19(15)12-5-3-4-11(16)8-12/h3-5,8H,6-7,9-10H2,1-2H3,(H2,17,18)
InChIKeyPYVKXRILJKHMFL-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.29
Rot. Bonds1

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

1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79513978) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79513978
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CC2(CCO1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-14(2)9-15(6-7-20-14)10-18-13(17)19(15)12-5-3-4-11(16)8-12/h3-5,8H,6-7,9-10H2,1-2H3,(H2,17,18)
InChIKeyPYVKXRILJKHMFL-UHFFFAOYSA-N
XLogP2.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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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Related Compounds

1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521544
1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79514881
1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79515023
1-(3-fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79503075
1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79521444
7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515050
9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79503079
1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79514797
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514411
5-(2-chlorophenyl)-1-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79501903
1-(4-bromophenyl)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502298
1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 114502286

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79513978) is 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1(C)CC2(CCO1)CN=C(N)N2c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is PYVKXRILJKHMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-14(2)9-15(6-7-20-14)10-18-13(17)19(15)12-5-3-4-11(16)8-12/h3-5,8H,6-7,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-fluorophenyl)-7,7-dimethyl-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, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79513978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).