N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide

C9H20N2O3 — CID 43175231

IUPACN'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide
SMILESCC(C)OCCOCC(C)/C(N)=N/O
InChIInChI=1S/C9H20N2O3/c1-7(2)14-5-4-13-6-8(3)9(10)11-12/h7-8,12H,4-6H2,1-3H3,(H2,10,11)
InChIKeyAXZYPFZMZHBNDV-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.81
Rot. Bonds7

About N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide

N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide (PubChem CID 43175231) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide
PubChem CID43175231
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide
SMILESCC(C)OCCOCC(C)/C(N)=N/O
InChIInChI=1S/C9H20N2O3/c1-7(2)14-5-4-13-6-8(3)9(10)11-12/h7-8,12H,4-6H2,1-3H3,(H2,10,11)
InChIKeyAXZYPFZMZHBNDV-UHFFFAOYSA-N
XLogP0.81
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370328
2-(2-butoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370383
2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370414
3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide
CID 103370459
3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
CID 103370465
3,3,3-trifluoro-N'-hydroxy-2-(3-methylbutan-2-yloxymethyl)propanimidamide
CID 103370483
3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide
CID 103370502
3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide
CID 103370505
2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103488578
3,3,3-trifluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)propanimidamide
CID 113808101
3,3,3-trifluoro-N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]propanimidamide
CID 113808109
3,3,3-trifluoro-N'-hydroxy-2-[2-(2-methylpropoxy)ethoxymethyl]propanimidamide
CID 113835420

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide (CID 43175231) is N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide is CC(C)OCCOCC(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide?
The InChIKey is AXZYPFZMZHBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(2)14-5-4-13-6-8(3)9(10)11-12/h7-8,12H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide?
N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide has a molecular weight of 204.27 g/mol, XLogP of 0.81, 7 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-(2-propan-2-yloxyethoxy)propanimidamide is sourced from PubChem (CID 43175231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).