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

C10H21N3O — CID 103356368

IUPAC3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(C)(O)C1
InChIInChI=1S/C10H21N3O/c1-3-8(6-9(11)12)13-5-4-10(2,14)7-13/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyWRUSDUIBSTZCHP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds4

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

3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide (PubChem CID 103356368) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
PubChem CID103356368
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(C)(O)C1
InChIInChI=1S/C10H21N3O/c1-3-8(6-9(11)12)13-5-4-10(2,14)7-13/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyWRUSDUIBSTZCHP-UHFFFAOYSA-N
XLogP0.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
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'}

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Related Compounds

3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370852
3-(3-Hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
3-[(2-Hydroxy-2-methylpropyl)-methylamino]pentanimidamide
CID 79386652
3-[Ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide
CID 79387114
3-[Ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide
CID 79387476
3-[(2-Hydroxy-2-methylpropyl)-methylamino]butanimidamide
CID 79387657
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356307
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356313
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356316
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356319
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356323
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356324

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide (CID 103356368) is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCC(C)(O)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The InChIKey is WRUSDUIBSTZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-8(6-9(11)12)13-5-4-10(2,14)7-13/h8,14H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 103356368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).