N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide

C10H23N3O2 — CID 77046473

IUPACN'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(C)(CC)CO
InChIInChI=1S/C10H23N3O2/c1-4-8(6-9(11)13-15)12-10(3,5-2)7-14/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyZMTOWUFGTHPSOC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.65
Rot. Bonds7

About N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide

N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide (PubChem CID 77046473) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide
PubChem CID77046473
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(C)(CC)CO
InChIInChI=1S/C10H23N3O2/c1-4-8(6-9(11)13-15)12-10(3,5-2)7-14/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyZMTOWUFGTHPSOC-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.65
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-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide (CID 77046473) is N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide is CCC(CC(N)=NO)NC(C)(CC)CO.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide?
The InChIKey is ZMTOWUFGTHPSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-8(6-9(11)13-15)12-10(3,5-2)7-14/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide?
N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 77046473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).