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

C9H19N3O — CID 103356379

IUPAC3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O/c1-7(5-8(10)11)12-4-3-9(2,13)6-12/h7,13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyTZIWKZUMOHNSIT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds3

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

3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide (PubChem CID 103356379) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
PubChem CID103356379
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O/c1-7(5-8(10)11)12-4-3-9(2,13)6-12/h7,13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyTZIWKZUMOHNSIT-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide (CID 103356379) is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The canonical SMILES for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCC(C)(O)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The InChIKey is TZIWKZUMOHNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(5-8(10)11)12-4-3-9(2,13)6-12/h7,13H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 3 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)butanimidamide is sourced from PubChem (CID 103356379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).