N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide

C9H21N3O2 — CID 76928096

IUPACN'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
SMILESCC(C)OCCN(C)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-7(2)14-6-5-12(4)8(3)9(10)11-13/h7-8,13H,5-6H2,1-4H3,(H2,10,11)
InChIKeyVZTHCGQZKKRZQD-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.48
Rot. Bonds6

About N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide

N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide (PubChem CID 76928096) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
PubChem CID76928096
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
SMILESCC(C)OCCN(C)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-7(2)14-6-5-12(4)8(3)9(10)11-13/h7-8,13H,5-6H2,1-4H3,(H2,10,11)
InChIKeyVZTHCGQZKKRZQD-UHFFFAOYSA-N
XLogP0.48
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.48
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-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide (CID 76928096) is N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide is CC(C)OCCN(C)C(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide?
The InChIKey is VZTHCGQZKKRZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-7(2)14-6-5-12(4)8(3)9(10)11-13/h7-8,13H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide?
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide is sourced from PubChem (CID 76928096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).