N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide

C9H20N2O3 — CID 24706673

IUPACN'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide
SMILESCC(C)OCCOCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O3/c1-8(2)14-7-6-13-5-3-4-9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyBAJCLDFUTGDPRH-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.95
Rot. Bonds8

About N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide

N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide (PubChem CID 24706673) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide
PubChem CID24706673
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide
SMILESCC(C)OCCOCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O3/c1-8(2)14-7-6-13-5-3-4-9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyBAJCLDFUTGDPRH-UHFFFAOYSA-N
XLogP0.95
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.95
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

3-[1-(2-cyanoethoxy)propan-2-yloxy]-N'-hydroxypropanimidamide
CID 57668575
3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]propoxy]-N'-hydroxypropanimidamide
CID 57668588
4-ethoxy-N'-hydroxy-5-methoxypentanimidamide
CID 58478330
3-[1-(2-cyanoethoxy)propan-2-yloxy]-N'-hydroxypropanimidamide
CID 76587950
3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide
CID 76587962
4-ethoxy-N'-hydroxy-5-methoxypentanimidamide
CID 76798780
4-ethoxy-N'-hydroxypentanimidamide
CID 89315184
4-ethoxy-N'-hydroxypentanimidamide
CID 173494867
N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide
CID 24692470
N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714
4-(2-ethoxyethoxy)-N'-hydroxybutanimidamide
CID 24693081
N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide
CID 24693435

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide (CID 24706673) is N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide is CC(C)OCCOCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide?
The InChIKey is BAJCLDFUTGDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-8(2)14-7-6-13-5-3-4-9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide?
N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide has a molecular weight of 204.27 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide is sourced from PubChem (CID 24706673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).