N'-hydroxy-4-(3-methylbutoxy)butanimidamide

C9H20N2O2 — CID 24695765

IUPACN'-hydroxy-4-(3-methylbutoxy)butanimidamide
SMILESCC(C)CCOCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O2/c1-8(2)5-7-13-6-3-4-9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyYIMKBMJFDDMSRP-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.58
Rot. Bonds7

About N'-hydroxy-4-(3-methylbutoxy)butanimidamide

N'-hydroxy-4-(3-methylbutoxy)butanimidamide (PubChem CID 24695765) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methylbutoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methylbutoxy)butanimidamide
PubChem CID24695765
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN'-hydroxy-4-(3-methylbutoxy)butanimidamide
SMILESCC(C)CCOCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O2/c1-8(2)5-7-13-6-3-4-9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyYIMKBMJFDDMSRP-UHFFFAOYSA-N
XLogP1.58
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methylbutoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(3-methylbutoxy)butanimidamide (CID 24695765) is N'-hydroxy-4-(3-methylbutoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methylbutoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-methylbutoxy)butanimidamide is CC(C)CCOCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(3-methylbutoxy)butanimidamide?
The InChIKey is YIMKBMJFDDMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)5-7-13-6-3-4-9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-4-(3-methylbutoxy)butanimidamide?
N'-hydroxy-4-(3-methylbutoxy)butanimidamide has a molecular weight of 188.27 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methylbutoxy)butanimidamide is sourced from PubChem (CID 24695765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).