3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide

C9H19N3O — CID 103356382

IUPAC3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O/c1-7(8(10)11)5-12-4-3-9(2,13)6-12/h7,13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyBHHAVUOZZUHGNJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.02
Rot. Bonds3

About 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide

3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide (PubChem CID 103356382) 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)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide
PubChem CID103356382
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O/c1-7(8(10)11)5-12-4-3-9(2,13)6-12/h7,13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyBHHAVUOZZUHGNJ-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
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-N'-hydroxy-2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370267
3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370852
N'-hydroxy-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 112737688
1-Ethanimidoyl-3-methylpyrrolidin-3-ol
CID 142132236
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
3-[Ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropanimidamide
CID 79387292
3-[(2-Hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide
CID 79387926
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-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356327

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide (CID 103356382) is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCC(C)(O)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide?
The InChIKey is BHHAVUOZZUHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(8(10)11)5-12-4-3-9(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)-2-methylpropanimidamide?
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.02, 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)-2-methylpropanimidamide is sourced from PubChem (CID 103356382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).