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

C11H21N3O — CID 63762053

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H21N3O/c1-7(4-11(12)13)14-8-2-3-9(14)6-10(15)5-8/h7-10,15H,2-6H2,1H3,(H3,12,13)
InChIKeyAZRDAQVLNGBHCA-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.69
Rot. Bonds3

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

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide (PubChem CID 63762053) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide
PubChem CID63762053
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H21N3O/c1-7(4-11(12)13)14-8-2-3-9(14)6-10(15)5-8/h7-10,15H,2-6H2,1H3,(H3,12,13)
InChIKeyAZRDAQVLNGBHCA-UHFFFAOYSA-N
XLogP0.69
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide (CID 63762053) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide is [H]/N=C(\N)CC(C)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
The InChIKey is AZRDAQVLNGBHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(4-11(12)13)14-8-2-3-9(14)6-10(15)5-8/h7-10,15H,2-6H2,1H3,(H3,12,13).
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide?
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide has a molecular weight of 211.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide is sourced from PubChem (CID 63762053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).