N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide

C9H19N3O2 — CID 43186226

IUPACN'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)CC1CCCO1
InChIInChI=1S/C9H19N3O2/c1-12(5-4-9(10)11-13)7-8-3-2-6-14-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyJLCDWVJOIIRBGO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.23
Rot. Bonds5

About N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide

N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide (PubChem CID 43186226) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
PubChem CID43186226
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)CC1CCCO1
InChIInChI=1S/C9H19N3O2/c1-12(5-4-9(10)11-13)7-8-3-2-6-14-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyJLCDWVJOIIRBGO-UHFFFAOYSA-N
XLogP0.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide (CID 43186226) is N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide is CN(CC/C(N)=N/O)CC1CCCO1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide?
The InChIKey is JLCDWVJOIIRBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12(5-4-9(10)11-13)7-8-3-2-6-14-8/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 43186226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).