2-amino-N'-hydroxy-3-methylbutanimidamide

C5H13N3O — CID 64981100

IUPAC2-amino-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(N)/C(N)=N/O
InChIInChI=1S/C5H13N3O/c1-3(2)4(6)5(7)8-9/h3-4,9H,6H2,1-2H3,(H2,7,8)
InChIKeyWWAQBEGTCLDSNU-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.28
Rot. Bonds2

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

2-amino-N'-hydroxy-3-methylbutanimidamide (PubChem CID 64981100) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-amino-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxy-3-methylbutanimidamide
PubChem CID64981100
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name2-amino-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(N)/C(N)=N/O
InChIInChI=1S/C5H13N3O/c1-3(2)4(6)5(7)8-9/h3-4,9H,6H2,1-2H3,(H2,7,8)
InChIKeyWWAQBEGTCLDSNU-UHFFFAOYSA-N
XLogP-0.28
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.28
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 2-amino-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-amino-N'-hydroxy-3-methylbutanimidamide (CID 64981100) is 2-amino-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-amino-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-amino-N'-hydroxy-3-methylbutanimidamide is CC(C)C(N)/C(N)=N/O.
What is the InChIKey of 2-amino-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is WWAQBEGTCLDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-3(2)4(6)5(7)8-9/h3-4,9H,6H2,1-2H3,(H2,7,8).
What are the key properties of 2-amino-N'-hydroxy-3-methylbutanimidamide?
2-amino-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 131.18 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 64981100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).