N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide

C10H21N3O2 — CID 103356323

IUPACN'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
SMILESCCC(CC(N)=NO)N1CCC(C)(O)C1
InChIInChI=1S/C10H21N3O2/c1-3-8(6-9(11)12-15)13-5-4-10(2,14)7-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyRHJICCLZHCGKOZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds4

About N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide

N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide (PubChem CID 103356323) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
PubChem CID103356323
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
SMILESCCC(CC(N)=NO)N1CCC(C)(O)C1
InChIInChI=1S/C10H21N3O2/c1-3-8(6-9(11)12-15)13-5-4-10(2,14)7-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyRHJICCLZHCGKOZ-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370267
N'-hydroxy-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 112737688
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62941886
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 76981281
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 76981290
3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 77056273
3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
CID 77056279
N'-hydroxy-3-[(2-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77056327
N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide
CID 79377060
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide
CID 79379358
N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]butanimidamide
CID 79379869
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
CID 79380233

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide (CID 103356323) is N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide is CCC(CC(N)=NO)N1CCC(C)(O)C1.
What is the InChIKey of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The InChIKey is RHJICCLZHCGKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-8(6-9(11)12-15)13-5-4-10(2,14)7-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 103356323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).