4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one

C14H25N3O — CID 138388228

IUPAC4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)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
LogP2.84
Rot. Bonds2

About 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one

4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138388228) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138388228
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)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
XLogP2.84
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one (CID 138388228) is 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C12CCCC(C)C2C.
What is the InChIKey of 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-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-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one?
4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-6,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).