4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one

C12H22N4O2 — CID 79967190

IUPAC4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCCN1CCC2(CC1)C(N)=NC(=O)N2CCOC
InChIInChI=1S/C12H22N4O2/c1-3-15-6-4-12(5-7-15)10(13)14-11(17)16(12)8-9-18-2/h3-9H2,1-2H3,(H2,13,14,17)
InChIKeyOGUUQFAOWDDUHR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.28
Rot. Bonds4

About 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one

4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 79967190) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID79967190
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCCN1CCC2(CC1)C(N)=NC(=O)N2CCOC
InChIInChI=1S/C12H22N4O2/c1-3-15-6-4-12(5-7-15)10(13)14-11(17)16(12)8-9-18-2/h3-9H2,1-2H3,(H2,13,14,17)
InChIKeyOGUUQFAOWDDUHR-UHFFFAOYSA-N
XLogP0.28
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one (CID 79967190) is 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one is CCN1CCC2(CC1)C(N)=NC(=O)N2CCOC.
What is the InChIKey of 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is OGUUQFAOWDDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-15-6-4-12(5-7-15)10(13)14-11(17)16(12)8-9-18-2/h3-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 254.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79967190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).