N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide

C11H21N3O2 — CID 76952478

IUPACN'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide
SMILESNC(CCCN1C2CCC1CC(O)C2)=NO
InChIInChI=1S/C11H21N3O2/c12-11(13-16)2-1-5-14-8-3-4-9(14)7-10(15)6-8/h8-10,15-16H,1-7H2,(H2,12,13)
InChIKeyLLTBLYZZSOGHMC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.50
Rot. Bonds4

About N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide

N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide (PubChem CID 76952478) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide
PubChem CID76952478
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide
SMILESNC(CCCN1C2CCC1CC(O)C2)=NO
InChIInChI=1S/C11H21N3O2/c12-11(13-16)2-1-5-14-8-3-4-9(14)7-10(15)6-8/h8-10,15-16H,1-7H2,(H2,12,13)
InChIKeyLLTBLYZZSOGHMC-UHFFFAOYSA-N
XLogP0.50
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.50
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-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide (CID 76952478) is N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide is NC(CCCN1C2CCC1CC(O)C2)=NO.
What is the InChIKey of N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
The InChIKey is LLTBLYZZSOGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-11(13-16)2-1-5-14-8-3-4-9(14)7-10(15)6-8/h8-10,15-16H,1-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide is sourced from PubChem (CID 76952478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).