N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide

C9H17N3O2 — CID 63764174

IUPACN'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide
SMILESN/C(CN1C2CCC1CC(O)C2)=N\O
InChIInChI=1S/C9H17N3O2/c10-9(11-14)5-12-6-1-2-7(12)4-8(13)3-6/h6-8,13-14H,1-5H2,(H2,10,11)
InChIKeyWKKOZWNWMIYMJQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.28
Rot. Bonds2

About N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide

N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide (PubChem CID 63764174) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide
PubChem CID63764174
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide
SMILESN/C(CN1C2CCC1CC(O)C2)=N\O
InChIInChI=1S/C9H17N3O2/c10-9(11-14)5-12-6-1-2-7(12)4-8(13)3-6/h6-8,13-14H,1-5H2,(H2,10,11)
InChIKeyWKKOZWNWMIYMJQ-UHFFFAOYSA-N
XLogP-0.28
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide (CID 63764174) is N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide is N/C(CN1C2CCC1CC(O)C2)=N\O.
What is the InChIKey of N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide?
The InChIKey is WKKOZWNWMIYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-9(11-14)5-12-6-1-2-7(12)4-8(13)3-6/h6-8,13-14H,1-5H2,(H2,10,11).
What are the key properties of N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide?
N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide has a molecular weight of 199.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanimidamide is sourced from PubChem (CID 63764174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).