3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide

C13H27N3O2 — CID 104940279

IUPAC3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27N3O2/c1-6-16(8-7-11(14)15-17)10-9-12(2,3)18-13(10,4)5/h10,17H,6-9H2,1-5H3,(H2,14,15)
InChIKeyMBUDKHBOMUHSHU-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.79
Rot. Bonds5

About 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide

3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 104940279) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide
PubChem CID104940279
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27N3O2/c1-6-16(8-7-11(14)15-17)10-9-12(2,3)18-13(10,4)5/h10,17H,6-9H2,1-5H3,(H2,14,15)
InChIKeyMBUDKHBOMUHSHU-UHFFFAOYSA-N
XLogP1.79
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.79
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-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide (CID 104940279) is 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is MBUDKHBOMUHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-16(8-7-11(14)15-17)10-9-12(2,3)18-13(10,4)5/h10,17H,6-9H2,1-5H3,(H2,14,15).
What are the key properties of 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide?
3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104940279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).