N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide

C11H25N3O3 — CID 55005370

IUPACN'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide
SMILESCOCCN(CCC/C(N)=N/O)C(C)COC
InChIInChI=1S/C11H25N3O3/c1-10(9-17-3)14(7-8-16-2)6-4-5-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyHFBPXHPZDGTVQV-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.50
Rot. Bonds10

About N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide

N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide (PubChem CID 55005370) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide
PubChem CID55005370
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC NameN'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide
SMILESCOCCN(CCC/C(N)=N/O)C(C)COC
InChIInChI=1S/C11H25N3O3/c1-10(9-17-3)14(7-8-16-2)6-4-5-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyHFBPXHPZDGTVQV-UHFFFAOYSA-N
XLogP0.50
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide (CID 55005370) is N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide is COCCN(CCC/C(N)=N/O)C(C)COC.
What is the InChIKey of N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide?
The InChIKey is HFBPXHPZDGTVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-10(9-17-3)14(7-8-16-2)6-4-5-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide?
N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide has a molecular weight of 247.34 g/mol, XLogP of 0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide is sourced from PubChem (CID 55005370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).