N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide

C12H23N3O2 — CID 55237792

IUPACN'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide
SMILESN/C(CCCCN1C2CCC1CC(O)C2)=N/O
InChIInChI=1S/C12H23N3O2/c13-12(14-17)3-1-2-6-15-9-4-5-10(15)8-11(16)7-9/h9-11,16-17H,1-8H2,(H2,13,14)
InChIKeyFTWLHHHHGKRBRG-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.89
Rot. Bonds5

About N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide

N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide (PubChem CID 55237792) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide
PubChem CID55237792
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide
SMILESN/C(CCCCN1C2CCC1CC(O)C2)=N/O
InChIInChI=1S/C12H23N3O2/c13-12(14-17)3-1-2-6-15-9-4-5-10(15)8-11(16)7-9/h9-11,16-17H,1-8H2,(H2,13,14)
InChIKeyFTWLHHHHGKRBRG-UHFFFAOYSA-N
XLogP0.89
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide (CID 55237792) is N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide is N/C(CCCCN1C2CCC1CC(O)C2)=N/O.
What is the InChIKey of N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
The InChIKey is FTWLHHHHGKRBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-12(14-17)3-1-2-6-15-9-4-5-10(15)8-11(16)7-9/h9-11,16-17H,1-8H2,(H2,13,14).
What are the key properties of N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide has a molecular weight of 241.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide is sourced from PubChem (CID 55237792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).