azane;2-hydroxy-N'-(methylamino)butanimidamide

C5H16N4O — CID 172928382

IUPACazane;2-hydroxy-N'-(methylamino)butanimidamide
SMILESCCC(O)/C(N)=N/NC.N
InChIInChI=1S/C5H13N3O.H3N/c1-3-4(9)5(6)8-7-2;/h4,7,9H,3H2,1-2H3,(H2,6,8);1H3
InChIKeyRMNWRXOEKFMMAL-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.59
Rot. Bonds3

About azane;2-hydroxy-N'-(methylamino)butanimidamide

azane;2-hydroxy-N'-(methylamino)butanimidamide (PubChem CID 172928382) has the molecular formula C5H16N4O and a molecular weight of 148.21 g/mol. Its IUPAC name is azane;2-hydroxy-N'-(methylamino)butanimidamide.

Molecular Properties

Compound Nameazane;2-hydroxy-N'-(methylamino)butanimidamide
PubChem CID172928382
Molecular FormulaC5H16N4O
Molecular Weight148.21 g/mol
Exact Mass148.13
IUPAC Nameazane;2-hydroxy-N'-(methylamino)butanimidamide
SMILESCCC(O)/C(N)=N/NC.N
InChIInChI=1S/C5H13N3O.H3N/c1-3-4(9)5(6)8-7-2;/h4,7,9H,3H2,1-2H3,(H2,6,8);1H3
InChIKeyRMNWRXOEKFMMAL-UHFFFAOYSA-N
XLogP-0.59
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxy-N'-(methylamino)butanimidamide?
The IUPAC name of azane;2-hydroxy-N'-(methylamino)butanimidamide (CID 172928382) is azane;2-hydroxy-N'-(methylamino)butanimidamide.
What is the SMILES notation for azane;2-hydroxy-N'-(methylamino)butanimidamide?
The canonical SMILES for azane;2-hydroxy-N'-(methylamino)butanimidamide is CCC(O)/C(N)=N/NC.N.
What is the InChIKey of azane;2-hydroxy-N'-(methylamino)butanimidamide?
The InChIKey is RMNWRXOEKFMMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O.H3N/c1-3-4(9)5(6)8-7-2;/h4,7,9H,3H2,1-2H3,(H2,6,8);1H3.
What are the key properties of azane;2-hydroxy-N'-(methylamino)butanimidamide?
azane;2-hydroxy-N'-(methylamino)butanimidamide has a molecular weight of 148.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxy-N'-(methylamino)butanimidamide is sourced from PubChem (CID 172928382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).