N'-hydroxy-3-(methylamino)butanimidamide

C5H13N3O — CID 77025510

IUPACN'-hydroxy-3-(methylamino)butanimidamide
SMILESCNC(C)CC(N)=NO
InChIInChI=1S/C5H13N3O/c1-4(7-2)3-5(6)8-9/h4,7,9H,3H2,1-2H3,(H2,6,8)
InChIKeyCSUXTZGNDUZGNF-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.27
Rot. Bonds3

About N'-hydroxy-3-(methylamino)butanimidamide

N'-hydroxy-3-(methylamino)butanimidamide (PubChem CID 77025510) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is N'-hydroxy-3-(methylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methylamino)butanimidamide
PubChem CID77025510
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC NameN'-hydroxy-3-(methylamino)butanimidamide
SMILESCNC(C)CC(N)=NO
InChIInChI=1S/C5H13N3O/c1-4(7-2)3-5(6)8-9/h4,7,9H,3H2,1-2H3,(H2,6,8)
InChIKeyCSUXTZGNDUZGNF-UHFFFAOYSA-N
XLogP-0.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.27
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 N'-hydroxy-3-(methylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(methylamino)butanimidamide (CID 77025510) is N'-hydroxy-3-(methylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(methylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(methylamino)butanimidamide is CNC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(methylamino)butanimidamide?
The InChIKey is CSUXTZGNDUZGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(7-2)3-5(6)8-9/h4,7,9H,3H2,1-2H3,(H2,6,8).
What are the key properties of N'-hydroxy-3-(methylamino)butanimidamide?
N'-hydroxy-3-(methylamino)butanimidamide has a molecular weight of 131.18 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methylamino)butanimidamide is sourced from PubChem (CID 77025510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).