N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide

C12H25N3O2 — CID 104940277

IUPACN'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide
SMILESCN(CCC(N)=NO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25N3O2/c1-11(2)8-9(12(3,4)17-11)15(5)7-6-10(13)14-16/h9,16H,6-8H2,1-5H3,(H2,13,14)
InChIKeyGPSXASJRLATUAJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds4

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

N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide (PubChem CID 104940277) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide
PubChem CID104940277
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide
SMILESCN(CCC(N)=NO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25N3O2/c1-11(2)8-9(12(3,4)17-11)15(5)7-6-10(13)14-16/h9,16H,6-8H2,1-5H3,(H2,13,14)
InChIKeyGPSXASJRLATUAJ-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
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'}

Analyze N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[(2-methyloxolan-2-yl)methylamino]butanimidamide
CID 80177518
N'-hydroxy-3-[(2-methyloxolan-2-yl)methylamino]pentanimidamide
CID 80178790
N'-hydroxy-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
CID 82739125
N'-hydroxy-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
CID 82739869
N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide
CID 82739955
N'-hydroxy-3-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide
CID 82740324
N'-hydroxy-3-[methyl-(2-methyloxolan-3-yl)amino]pentanimidamide
CID 82740511
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 104889548
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 104889549
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide
CID 104889550
3-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 104889551
3-[(5,5-dimethyloxolan-2-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104889552

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide (CID 104940277) is N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide is CN(CCC(N)=NO)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide?
The InChIKey is GPSXASJRLATUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2)8-9(12(3,4)17-11)15(5)7-6-10(13)14-16/h9,16H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanimidamide is sourced from PubChem (CID 104940277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).