1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one

C11H19N3O — CID 170408700

IUPAC1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
SMILES[H]/N=C/N1CC2(C1)CN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C11H19N3O/c1-10(2,3)9(15)14-6-11(7-14)4-13(5-11)8-12/h8,12H,4-7H2,1-3H3/b12-8+
InChIKeyWYDLCYKLDXSGEP-XYOKQWHBSA-N
MW209.29 g/mol
LogP0.78
Rot. Bonds1

About 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one

1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 170408700) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID170408700
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
SMILES[H]/N=C/N1CC2(C1)CN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C11H19N3O/c1-10(2,3)9(15)14-6-11(7-14)4-13(5-11)8-12/h8,12H,4-7H2,1-3H3/b12-8+
InChIKeyWYDLCYKLDXSGEP-XYOKQWHBSA-N
XLogP0.78
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one (CID 170408700) is 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one is [H]/N=C/N1CC2(C1)CN(C(=O)C(C)(C)C)C2.
What is the InChIKey of 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is WYDLCYKLDXSGEP-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,3)9(15)14-6-11(7-14)4-13(5-11)8-12/h8,12H,4-7H2,1-3H3/b12-8+.
What are the key properties of 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 209.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 170408700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).