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

C8H15N3O2 — CID 66370670

IUPACN'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide
SMILESN/C(CN1CC2CCC(C1)O2)=N\O
InChIInChI=1S/C8H15N3O2/c9-8(10-12)5-11-3-6-1-2-7(4-11)13-6/h6-7,12H,1-5H2,(H2,9,10)
InChIKeyBBLIMWUYUQYXMC-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.40
Rot. Bonds2

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

N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide (PubChem CID 66370670) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide
PubChem CID66370670
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide
SMILESN/C(CN1CC2CCC(C1)O2)=N\O
InChIInChI=1S/C8H15N3O2/c9-8(10-12)5-11-3-6-1-2-7(4-11)13-6/h6-7,12H,1-5H2,(H2,9,10)
InChIKeyBBLIMWUYUQYXMC-UHFFFAOYSA-N
XLogP-0.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide (CID 66370670) is N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide is N/C(CN1CC2CCC(C1)O2)=N\O.
What is the InChIKey of N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide?
The InChIKey is BBLIMWUYUQYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-8(10-12)5-11-3-6-1-2-7(4-11)13-6/h6-7,12H,1-5H2,(H2,9,10).
What are the key properties of N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide?
N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide has a molecular weight of 185.23 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide is sourced from PubChem (CID 66370670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).