2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide

C13H25N3O — CID 76981163

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11(12(14)15-17)16-9-7-13(8-10-16)5-3-2-4-6-13/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyGZNNGDGYRXQAGM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.17
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide

2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide (PubChem CID 76981163) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide
PubChem CID76981163
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11(12(14)15-17)16-9-7-13(8-10-16)5-3-2-4-6-13/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyGZNNGDGYRXQAGM-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide (CID 76981163) is 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide?
The InChIKey is GZNNGDGYRXQAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(12(14)15-17)16-9-7-13(8-10-16)5-3-2-4-6-13/h11,17H,2-10H2,1H3,(H2,14,15).
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide?
2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76981163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).