4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H25N3O — CID 79959230

IUPAC4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCCC(C)C2C
InChIInChI=1S/C14H25N3O/c1-9(2)8-17-13(18)16-12(15)14(17)7-5-6-10(3)11(14)4/h9-11H,5-8H2,1-4H3,(H2,15,16,18)
InChIKeyIEISTZHJLVPAKM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.63
Rot. Bonds2

About 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959230) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959230
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCCC(C)C2C
InChIInChI=1S/C14H25N3O/c1-9(2)8-17-13(18)16-12(15)14(17)7-5-6-10(3)11(14)4/h9-11H,5-8H2,1-4H3,(H2,15,16,18)
InChIKeyIEISTZHJLVPAKM-UHFFFAOYSA-N
XLogP2.63
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959230) is 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CCCC(C)C2C.
What is the InChIKey of 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is IEISTZHJLVPAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(2)8-17-13(18)16-12(15)14(17)7-5-6-10(3)11(14)4/h9-11H,5-8H2,1-4H3,(H2,15,16,18).
What are the key properties of 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).