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

C14H29N3O2 — CID 104940278

IUPAC3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29N3O2/c1-7-17(9-10(2)12(15)16-18)11-8-13(3,4)19-14(11,5)6/h10-11,18H,7-9H2,1-6H3,(H2,15,16)
InChIKeyXQBOMCDLECYYHT-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.04
Rot. Bonds5

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

3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104940278) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID104940278
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29N3O2/c1-7-17(9-10(2)12(15)16-18)11-8-13(3,4)19-14(11,5)6/h10-11,18H,7-9H2,1-6H3,(H2,15,16)
InChIKeyXQBOMCDLECYYHT-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.04
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'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 104940278) is 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is XQBOMCDLECYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-7-17(9-10(2)12(15)16-18)11-8-13(3,4)19-14(11,5)6/h10-11,18H,7-9H2,1-6H3,(H2,15,16).
What are the key properties of 3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 271.40 g/mol, XLogP of 2.04, 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104940278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).