3-amino-N'-hydroxybutanimidamide

C4H11N3O — CID 74051063

IUPAC3-amino-N'-hydroxybutanimidamide
SMILESCC(N)CC(N)=NO
InChIInChI=1S/C4H11N3O/c1-3(5)2-4(6)7-8/h3,8H,2,5H2,1H3,(H2,6,7)
InChIKeyDEHWGLHBJIDNSE-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.53
Rot. Bonds2

About 3-amino-N'-hydroxybutanimidamide

3-amino-N'-hydroxybutanimidamide (PubChem CID 74051063) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-amino-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-amino-N'-hydroxybutanimidamide
PubChem CID74051063
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name3-amino-N'-hydroxybutanimidamide
SMILESCC(N)CC(N)=NO
InChIInChI=1S/C4H11N3O/c1-3(5)2-4(6)7-8/h3,8H,2,5H2,1H3,(H2,6,7)
InChIKeyDEHWGLHBJIDNSE-UHFFFAOYSA-N
XLogP-0.53
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 ≤ 5-0.53
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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Related Compounds

CID 434991
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CID 5771687
CID 5771687
CID 5477850
CID 5477850
CID 9595237
CID 9595237
CID 64326535
CID 64326535
CID 77025510
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CID 79498893
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CID 143329424
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CID 3246665
CID 3246665

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-hydroxybutanimidamide?
The IUPAC name of 3-amino-N'-hydroxybutanimidamide (CID 74051063) is 3-amino-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-amino-N'-hydroxybutanimidamide?
The canonical SMILES for 3-amino-N'-hydroxybutanimidamide is CC(N)CC(N)=NO.
What is the InChIKey of 3-amino-N'-hydroxybutanimidamide?
The InChIKey is DEHWGLHBJIDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-3(5)2-4(6)7-8/h3,8H,2,5H2,1H3,(H2,6,7).
What are the key properties of 3-amino-N'-hydroxybutanimidamide?
3-amino-N'-hydroxybutanimidamide has a molecular weight of 117.15 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-hydroxybutanimidamide is sourced from PubChem (CID 74051063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).