4-amino-N'-hydroxy-2-phenylbutanimidamide

C10H15N3O — CID 141138558

IUPAC4-amino-N'-hydroxy-2-phenylbutanimidamide
SMILESNCCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C10H15N3O/c11-7-6-9(10(12)13-14)8-4-2-1-3-5-8/h1-5,9,14H,6-7,11H2,(H2,12,13)
InChIKeyGDBGOJGHDFZOGQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.87
Rot. Bonds4

About 4-amino-N'-hydroxy-2-phenylbutanimidamide

4-amino-N'-hydroxy-2-phenylbutanimidamide (PubChem CID 141138558) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-N'-hydroxy-2-phenylbutanimidamide.

Molecular Properties

Compound Name4-amino-N'-hydroxy-2-phenylbutanimidamide
PubChem CID141138558
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-N'-hydroxy-2-phenylbutanimidamide
SMILESNCCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C10H15N3O/c11-7-6-9(10(12)13-14)8-4-2-1-3-5-8/h1-5,9,14H,6-7,11H2,(H2,12,13)
InChIKeyGDBGOJGHDFZOGQ-UHFFFAOYSA-N
XLogP0.87
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.87
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

sodium;4-amino-2-phenylbutanoic acid;hydride
CID 174638608
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
3-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-2-phenylpropanimidamide
CID 79682395
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043553
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043954
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-hydroxy-2-phenylbutanimidamide?
The IUPAC name of 4-amino-N'-hydroxy-2-phenylbutanimidamide (CID 141138558) is 4-amino-N'-hydroxy-2-phenylbutanimidamide.
What is the SMILES notation for 4-amino-N'-hydroxy-2-phenylbutanimidamide?
The canonical SMILES for 4-amino-N'-hydroxy-2-phenylbutanimidamide is NCCC(/C(N)=N/O)c1ccccc1.
What is the InChIKey of 4-amino-N'-hydroxy-2-phenylbutanimidamide?
The InChIKey is GDBGOJGHDFZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-7-6-9(10(12)13-14)8-4-2-1-3-5-8/h1-5,9,14H,6-7,11H2,(H2,12,13).
What are the key properties of 4-amino-N'-hydroxy-2-phenylbutanimidamide?
4-amino-N'-hydroxy-2-phenylbutanimidamide has a molecular weight of 193.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-hydroxy-2-phenylbutanimidamide is sourced from PubChem (CID 141138558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).