4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one

C12H21N3O — CID 79959483

IUPAC4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C)C2
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-11(16)14-10(13)12(15)5-4-9(3)6-12/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyPXYHXDFICIOUDI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds2

About 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79959483) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79959483
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C)C2
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-11(16)14-10(13)12(15)5-4-9(3)6-12/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyPXYHXDFICIOUDI-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79959483) is 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CCC(C)C2.
What is the InChIKey of 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is PXYHXDFICIOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)7-15-11(16)14-10(13)12(15)5-4-9(3)6-12/h8-9H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79959483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).