N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide

C10H21N3O2 — CID 43611243

IUPACN'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
SMILESCC(CN(C)C1CCOCC1)/C(N)=N/O
InChIInChI=1S/C10H21N3O2/c1-8(10(11)12-14)7-13(2)9-3-5-15-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyAGFVYFITRBPBBE-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.48
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide (PubChem CID 43611243) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
PubChem CID43611243
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
SMILESCC(CN(C)C1CCOCC1)/C(N)=N/O
InChIInChI=1S/C10H21N3O2/c1-8(10(11)12-14)7-13(2)9-3-5-15-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyAGFVYFITRBPBBE-UHFFFAOYSA-N
XLogP0.48
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.48
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-4-yl)amino]methyl]propanimidamide
CID 103369269
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-4-ylamino)methyl]propanimidamide
CID 103369647
N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542176
N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide
CID 43611238
N'-hydroxy-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 43611239
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241
N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611242
3-[Methyl(oxan-4-yl)amino]propanimidamide
CID 43611262
2-Methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611268
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43613264
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 55066359
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide (CID 43611243) is N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide is CC(CN(C)C1CCOCC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
The InChIKey is AGFVYFITRBPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(10(11)12-14)7-13(2)9-3-5-15-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide is sourced from PubChem (CID 43611243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).