N'-hydroxy-3-(methylamino)propanimidamide

C4H11N3O — CID 74051067

IUPACN'-hydroxy-3-(methylamino)propanimidamide
SMILESCNCCC(N)=NO
InChIInChI=1S/C4H11N3O/c1-6-3-2-4(5)7-8/h6,8H,2-3H2,1H3,(H2,5,7)
InChIKeyPHRUWATXNWJXMZ-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.66
Rot. Bonds3

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

N'-hydroxy-3-(methylamino)propanimidamide (PubChem CID 74051067) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is N'-hydroxy-3-(methylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methylamino)propanimidamide
PubChem CID74051067
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC NameN'-hydroxy-3-(methylamino)propanimidamide
SMILESCNCCC(N)=NO
InChIInChI=1S/C4H11N3O/c1-6-3-2-4(5)7-8/h6,8H,2-3H2,1H3,(H2,5,7)
InChIKeyPHRUWATXNWJXMZ-UHFFFAOYSA-N
XLogP-0.66
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.66
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)propanimidamide?
The IUPAC name of N'-hydroxy-3-(methylamino)propanimidamide (CID 74051067) is N'-hydroxy-3-(methylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(methylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(methylamino)propanimidamide is CNCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(methylamino)propanimidamide?
The InChIKey is PHRUWATXNWJXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-6-3-2-4(5)7-8/h6,8H,2-3H2,1H3,(H2,5,7).
What are the key properties of N'-hydroxy-3-(methylamino)propanimidamide?
N'-hydroxy-3-(methylamino)propanimidamide has a molecular weight of 117.15 g/mol, XLogP of -0.66, 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)propanimidamide is sourced from PubChem (CID 74051067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).