5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide

C10H21N3O — CID 103356370

IUPAC5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCC(C)(O)C1
InChIInChI=1S/C10H21N3O/c1-10(14)5-7-13(8-10)6-3-2-4-9(11)12/h14H,2-8H2,1H3,(H3,11,12)
InChIKeyYJQATFIBKROSAA-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds5

About 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide

5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide (PubChem CID 103356370) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
PubChem CID103356370
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCC(C)(O)C1
InChIInChI=1S/C10H21N3O/c1-10(14)5-7-13(8-10)6-3-2-4-9(11)12/h14H,2-8H2,1H3,(H3,11,12)
InChIKeyYJQATFIBKROSAA-UHFFFAOYSA-N
XLogP0.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
5-(3-Hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943761
5-[Ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide
CID 79387660
5-[(2-Hydroxy-2-methylpropyl)-methylamino]pentanimidamide
CID 79388016
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-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 103356318
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356323
N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356327
5-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356366

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The IUPAC name of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide (CID 103356370) is 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CCC(C)(O)C1.
What is the InChIKey of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
The InChIKey is YJQATFIBKROSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(14)5-7-13(8-10)6-3-2-4-9(11)12/h14H,2-8H2,1H3,(H3,11,12).
What are the key properties of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide?
5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 103356370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).