6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H25N3O — CID 79498559

IUPAC6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CCCCC12CN=C(N)N2c1ccc(OC)cc1
InChIInChI=1S/C17H25N3O/c1-3-13-6-4-5-11-17(13)12-19-16(18)20(17)14-7-9-15(21-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3,(H2,18,19)
InChIKeyPYHKJNGYTDLRSO-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.17
Rot. Bonds3

About 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498559) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498559
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CCCCC12CN=C(N)N2c1ccc(OC)cc1
InChIInChI=1S/C17H25N3O/c1-3-13-6-4-5-11-17(13)12-19-16(18)20(17)14-7-9-15(21-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3,(H2,18,19)
InChIKeyPYHKJNGYTDLRSO-UHFFFAOYSA-N
XLogP3.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498559) is 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC1CCCCC12CN=C(N)N2c1ccc(OC)cc1.
What is the InChIKey of 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is PYHKJNGYTDLRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-13-6-4-5-11-17(13)12-19-16(18)20(17)14-7-9-15(21-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3,(H2,18,19).
What are the key properties of 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).