N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide

C10H22N2O3 — CID 103939505

IUPACN'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide
SMILESCCC(OCCOC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H22N2O3/c1-5-8(9(11)12-13)14-6-7-15-10(2,3)4/h8,13H,5-7H2,1-4H3,(H2,11,12)
InChIKeyFIUKSXCWOTYMLV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.34
Rot. Bonds6

About N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide

N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide (PubChem CID 103939505) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide
PubChem CID103939505
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide
SMILESCCC(OCCOC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H22N2O3/c1-5-8(9(11)12-13)14-6-7-15-10(2,3)4/h8,13H,5-7H2,1-4H3,(H2,11,12)
InChIKeyFIUKSXCWOTYMLV-UHFFFAOYSA-N
XLogP1.34
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.34
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-ethoxy-N'-hydroxybutanimidamide
CID 61697163
2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide
CID 87553087
2-(2-Hydroxy-2-methylpropoxy)propanimidamide
CID 140888242
N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide
CID 24692470
N'-hydroxy-2-(2-propan-2-yloxyethoxy)ethanimidamide
CID 24699048
N'-hydroxy-4-(2-propan-2-yloxyethoxy)butanimidamide
CID 24706673
2-(2-butoxyethoxy)-N'-hydroxyethanimidamide
CID 43128369
N'-hydroxy-2-(2-methylbutan-2-yloxy)ethanimidamide
CID 43128403
N'-hydroxy-2-methyl-3-(2-propan-2-yloxyethoxy)propanimidamide
CID 43175231
N'-hydroxy-2-(2-methylpropoxy)propanimidamide
CID 54595845
2-(2-Propan-2-yloxyethoxy)propanimidamide
CID 61691713
N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 61692264

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide?
The IUPAC name of N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide (CID 103939505) is N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide is CCC(OCCOC(C)(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide?
The InChIKey is FIUKSXCWOTYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-5-8(9(11)12-13)14-6-7-15-10(2,3)4/h8,13H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide?
N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide has a molecular weight of 218.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide is sourced from PubChem (CID 103939505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).