3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide

C11H21N3O — CID 63763299

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H21N3O/c1-7(11(12)13)6-14-8-2-3-9(14)5-10(15)4-8/h7-10,15H,2-6H2,1H3,(H3,12,13)
InChIKeyARZPLDYAUZKUOC-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.55
Rot. Bonds3

About 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide (PubChem CID 63763299) 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)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide
PubChem CID63763299
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H21N3O/c1-7(11(12)13)6-14-8-2-3-9(14)5-10(15)4-8/h7-10,15H,2-6H2,1H3,(H3,12,13)
InChIKeyARZPLDYAUZKUOC-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
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'}

Analyze 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide (CID 63763299) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1C2CCC1CC(O)C2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide?
The InChIKey is ARZPLDYAUZKUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(11(12)13)6-14-8-2-3-9(14)5-10(15)4-8/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)-2-methylpropanimidamide?
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanimidamide has a molecular weight of 211.31 g/mol, XLogP of 0.55, 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)-2-methylpropanimidamide is sourced from PubChem (CID 63763299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).