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

C8H17N3O — CID 103356374

IUPAC3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(C)(O)C1
InChIInChI=1S/C8H17N3O/c1-8(12)3-5-11(6-8)4-2-7(9)10/h12H,2-6H2,1H3,(H3,9,10)
InChIKeyYCIUEAFQRSLDAK-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.23
Rot. Bonds3

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

3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide (PubChem CID 103356374) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
PubChem CID103356374
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(C)(O)C1
InChIInChI=1S/C8H17N3O/c1-8(12)3-5-11(6-8)4-2-7(9)10/h12H,2-6H2,1H3,(H3,9,10)
InChIKeyYCIUEAFQRSLDAK-UHFFFAOYSA-N
XLogP-0.23
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.23
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
1-Ethanimidoyl-3-methylpyrrolidin-3-ol
CID 142132236
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
4-[(2-Hydroxy-2-methylpropyl)-methylamino]butanimidamide
CID 79386650
3-[(2-Hydroxy-2-methylpropyl)-methylamino]propanimidamide
CID 79387020
3-[Ethyl-(2-hydroxy-2-methylpropyl)amino]propanimidamide
CID 79387749
4-[Ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide
CID 79387836
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356307
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide
CID 103356312
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
The IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide (CID 103356374) is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
The canonical SMILES for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide is [H]/N=C(\N)CCN1CCC(C)(O)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
The InChIKey is YCIUEAFQRSLDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(12)3-5-11(6-8)4-2-7(9)10/h12H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide has a molecular weight of 171.24 g/mol, XLogP of -0.23, 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)propanimidamide is sourced from PubChem (CID 103356374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).