4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide

C9H19N3O — CID 103356378

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O/c1-9(13)4-6-12(7-9)5-2-3-8(10)11/h13H,2-7H2,1H3,(H3,10,11)
InChIKeyHQHHIDASPXOCDU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds4

About 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide

4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide (PubChem CID 103356378) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
PubChem CID103356378
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O/c1-9(13)4-6-12(7-9)5-2-3-8(10)11/h13H,2-7H2,1H3,(H3,10,11)
InChIKeyHQHHIDASPXOCDU-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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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
4-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943376
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
4-[(2-Hydroxy-2-methylpropyl)-methylamino]butanimidamide
CID 79386650
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-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-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
CID 103356320

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide (CID 103356378) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCC(C)(O)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The InChIKey is HQHHIDASPXOCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(13)4-6-12(7-9)5-2-3-8(10)11/h13H,2-7H2,1H3,(H3,10,11).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 103356378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).