4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one

C12H21N3O — CID 79959496

IUPAC4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)C1CCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C12H21N3O/c1-8(2)9-4-6-12(7-5-9)10(13)14-11(16)15(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyOYNLTYLLXIBENV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds1

About 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959496) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959496
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)C1CCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C12H21N3O/c1-8(2)9-4-6-12(7-5-9)10(13)14-11(16)15(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyOYNLTYLLXIBENV-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960712
4-Amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960884
4-Amino-1-propyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961046
4-Amino-1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967739
4-Amino-1-propan-2-yl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968155
3-(1-Carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea
CID 79154440
4-Amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959228
4-Amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959229
4-Amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959230
5-amino-4-cyclohexyl-3-methyl-4H-imidazol-2-one
CID 79959248
4-Amino-1,6,8-trimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959260
4-Amino-1,6,7-trimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959261

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959496) is 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)C1CCC2(CC1)C(N)=NC(=O)N2C.
What is the InChIKey of 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is OYNLTYLLXIBENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)9-4-6-12(7-5-9)10(13)14-11(16)15(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).