3-amino-N'-hydroxypropanimidamide

C3H9N3O — CID 54106833

IUPAC3-amino-N'-hydroxypropanimidamide
SMILESNCCC(N)=NO
InChIInChI=1S/C3H9N3O/c4-2-1-3(5)6-7/h7H,1-2,4H2,(H2,5,6)
InChIKeyNEIKBNYERRGVTR-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.92
Rot. Bonds2

About 3-amino-N'-hydroxypropanimidamide

3-amino-N'-hydroxypropanimidamide (PubChem CID 54106833) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 3-amino-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-amino-N'-hydroxypropanimidamide
PubChem CID54106833
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name3-amino-N'-hydroxypropanimidamide
SMILESNCCC(N)=NO
InChIInChI=1S/C3H9N3O/c4-2-1-3(5)6-7/h7H,1-2,4H2,(H2,5,6)
InChIKeyNEIKBNYERRGVTR-UHFFFAOYSA-N
XLogP-0.92
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.92
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

propane, 2-amino-1-(N-hydroxy)amidino-
CID 74051063
3-amino-N'-hydroxypropanimidamide
CID 12551334
N'-hydroxy-3-(hydroxyamino)propanimidamide
CID 54607275
N'-hydroxy-3-(hydroxyamino)propanimidamide
CID 5953399
2-amino-1-N',3-N'-dihydroxypropanediimidamide
CID 173850325
N'-hydroxy-3-(hydroxyamino)propanimidamide
CID 316031
CID 15797079
CID 15797079
3-amino-N'-hydroxy-2-methylpropanimidamide
CID 23423625
3-amino-N-hydroxybutanimidamide
CID 23423630
4-amino-N'-hydroxybutanimidamide
CID 64329154
CID 74051062
CID 74051062
4-Amino-N-hydroxybutanimidamide
CID 77027142

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-hydroxypropanimidamide?
The IUPAC name of 3-amino-N'-hydroxypropanimidamide (CID 54106833) is 3-amino-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-amino-N'-hydroxypropanimidamide?
The canonical SMILES for 3-amino-N'-hydroxypropanimidamide is NCCC(N)=NO.
What is the InChIKey of 3-amino-N'-hydroxypropanimidamide?
The InChIKey is NEIKBNYERRGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c4-2-1-3(5)6-7/h7H,1-2,4H2,(H2,5,6).
What are the key properties of 3-amino-N'-hydroxypropanimidamide?
3-amino-N'-hydroxypropanimidamide has a molecular weight of 103.12 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-hydroxypropanimidamide is sourced from PubChem (CID 54106833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).