4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide

C11H23N3O — CID 103356376

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(C)(O)C1
InChIInChI=1S/C11H23N3O/c1-10(2,9(12)13)4-6-14-7-5-11(3,15)8-14/h15H,4-8H2,1-3H3,(H3,12,13)
InChIKeyOOYXAZLAVOIVIL-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.80
Rot. Bonds4

About 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide

4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 103356376) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID103356376
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(C)(O)C1
InChIInChI=1S/C11H23N3O/c1-10(2,9(12)13)4-6-14-7-5-11(3,15)8-14/h15H,4-8H2,1-3H3,(H3,12,13)
InChIKeyOOYXAZLAVOIVIL-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.80
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

4-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
CID 65252189
5-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 65258038
4-[Ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylbutanimidamide
CID 79386755
4-[(2-Hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
CID 79387018
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356309
N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
CID 103356320
N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356327
5-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356366
5-(3-Hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356370
3-(3-Hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356374
4-(3-Hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356378
3-(3-Hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356379

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide (CID 103356376) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCC(C)(O)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is OOYXAZLAVOIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2,9(12)13)4-6-14-7-5-11(3,15)8-14/h15H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.80, 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)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 103356376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).