3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide

C13H25N3O2 — CID 79905616

IUPAC3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H25N3O2/c1-2-16(8-4-12(14)15-17)11-5-9-18-13(10-11)6-3-7-13/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyCPNJTJBHZZZKIZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.55
Rot. Bonds5

About 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide

3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 79905616) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide
PubChem CID79905616
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H25N3O2/c1-2-16(8-4-12(14)15-17)11-5-9-18-13(10-11)6-3-7-13/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyCPNJTJBHZZZKIZ-UHFFFAOYSA-N
XLogP1.55
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide (CID 79905616) is 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is CPNJTJBHZZZKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-16(8-4-12(14)15-17)11-5-9-18-13(10-11)6-3-7-13/h11,17H,2-10H2,1H3,(H2,14,15).
What are the key properties of 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 255.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 79905616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).