3-amino-N'-hydroxy-2-methylpropanimidamide

C4H11N3O — CID 23423625

IUPAC3-amino-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN)/C(N)=N/O
InChIInChI=1S/C4H11N3O/c1-3(2-5)4(6)7-8/h3,8H,2,5H2,1H3,(H2,6,7)
InChIKeyNRGNZCHOILLCNW-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.67
Rot. Bonds2

About 3-amino-N'-hydroxy-2-methylpropanimidamide

3-amino-N'-hydroxy-2-methylpropanimidamide (PubChem CID 23423625) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-amino-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-amino-N'-hydroxy-2-methylpropanimidamide
PubChem CID23423625
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name3-amino-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN)/C(N)=N/O
InChIInChI=1S/C4H11N3O/c1-3(2-5)4(6)7-8/h3,8H,2,5H2,1H3,(H2,6,7)
InChIKeyNRGNZCHOILLCNW-UHFFFAOYSA-N
XLogP-0.67
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-amino-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-amino-N'-hydroxy-2-methylpropanimidamide (CID 23423625) is 3-amino-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-amino-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-amino-N'-hydroxy-2-methylpropanimidamide is CC(CN)/C(N)=N/O.
What is the InChIKey of 3-amino-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is NRGNZCHOILLCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-3(2-5)4(6)7-8/h3,8H,2,5H2,1H3,(H2,6,7).
What are the key properties of 3-amino-N'-hydroxy-2-methylpropanimidamide?
3-amino-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 117.15 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 23423625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).