N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide

C8H19N3O2 — CID 77056361

IUPACN'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide
SMILESCCC(C)(O)CNC(C)C(N)=NO
InChIInChI=1S/C8H19N3O2/c1-4-8(3,12)5-10-6(2)7(9)11-13/h6,10,12-13H,4-5H2,1-3H3,(H2,9,11)
InChIKeyAWUHJLYGNLBQMX-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.13
Rot. Bonds5

About N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide

N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide (PubChem CID 77056361) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide
PubChem CID77056361
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide
SMILESCCC(C)(O)CNC(C)C(N)=NO
InChIInChI=1S/C8H19N3O2/c1-4-8(3,12)5-10-6(2)7(9)11-13/h6,10,12-13H,4-5H2,1-3H3,(H2,9,11)
InChIKeyAWUHJLYGNLBQMX-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide (CID 77056361) is N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide is CCC(C)(O)CNC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide?
The InChIKey is AWUHJLYGNLBQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-4-8(3,12)5-10-6(2)7(9)11-13/h6,10,12-13H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide?
N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide is sourced from PubChem (CID 77056361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).