4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C12H21N3O2 — CID 79968039

IUPAC4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCOCCN1C(=O)N=C(N)C12CCCC(C)C2
InChIInChI=1S/C12H21N3O2/c1-9-4-3-5-12(8-9)10(13)14-11(16)15(12)6-7-17-2/h9H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyGBHUQSHDXZDWCF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79968039) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79968039
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCOCCN1C(=O)N=C(N)C12CCCC(C)C2
InChIInChI=1S/C12H21N3O2/c1-9-4-3-5-12(8-9)10(13)14-11(16)15(12)6-7-17-2/h9H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyGBHUQSHDXZDWCF-UHFFFAOYSA-N
XLogP1.37
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79985069
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 115420968
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
CID 79972355
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79968039) is 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one is COCCN1C(=O)N=C(N)C12CCCC(C)C2.
What is the InChIKey of 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is GBHUQSHDXZDWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-4-3-5-12(8-9)10(13)14-11(16)15(12)6-7-17-2/h9H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79968039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).