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

C16H22FN3O — CID 79501897

IUPAC7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1(C)CC2(CCO1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H22FN3O/c1-3-15(2)10-16(7-8-21-15)11-19-14(18)20(16)13-6-4-5-12(17)9-13/h4-6,9H,3,7-8,10-11H2,1-2H3,(H2,18,19)
InChIKeyBMAZJXNHEHSFHC-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.68
Rot. Bonds2

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

7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79501897) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79501897
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1(C)CC2(CCO1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H22FN3O/c1-3-15(2)10-16(7-8-21-15)11-19-14(18)20(16)13-6-4-5-12(17)9-13/h4-6,9H,3,7-8,10-11H2,1-2H3,(H2,18,19)
InChIKeyBMAZJXNHEHSFHC-UHFFFAOYSA-N
XLogP2.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79501897) is 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC1(C)CC2(CCO1)CN=C(N)N2c1cccc(F)c1.
What is the InChIKey of 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is BMAZJXNHEHSFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-3-15(2)10-16(7-8-21-15)11-19-14(18)20(16)13-6-4-5-12(17)9-13/h4-6,9H,3,7-8,10-11H2,1-2H3,(H2,18,19).
What are the key properties of 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79501897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).