N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide

C8H18N2O2 — CID 43128381

IUPACN'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide
SMILESCC(C)(C)OCCC/C(N)=N/O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-6-4-5-7(9)10-11/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyIGXNPAKAOLVJND-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.33
Rot. Bonds4

About N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide

N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide (PubChem CID 43128381) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide
PubChem CID43128381
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide
SMILESCC(C)(C)OCCC/C(N)=N/O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-6-4-5-7(9)10-11/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyIGXNPAKAOLVJND-UHFFFAOYSA-N
XLogP1.33
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-4-methoxybutanimidamide
CID 24697443
(1Z)-N'-hydroxy-4-methoxybutanimidamide
CID 28188006
N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 43128380
CID 57363835
CID 57363835
N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 74859890
4-ethoxy-N'-hydroxypentanimidamide
CID 89315184
4-ethoxy-N'-hydroxypentanimidamide
CID 173494867
N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714
4-(2-ethoxyethoxy)-N'-hydroxybutanimidamide
CID 24693081
4-ethoxy-N-hydroxybutanimidamide
CID 24694569
N'-hydroxy-4-(3-methylbutoxy)butanimidamide
CID 24695765
N'-hydroxy-4-(2-methoxyethoxy)butanimidamide
CID 24701071

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide (CID 43128381) is N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide is CC(C)(C)OCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide?
The InChIKey is IGXNPAKAOLVJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)12-6-4-5-7(9)10-11/h11H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide?
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide has a molecular weight of 174.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide is sourced from PubChem (CID 43128381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).