(1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane

C8H15N — CID 59704398

IUPAC(1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane
SMILES[CH2-][NH+]1C[C@@H]2CCC[C@@H]1C2
InChIInChI=1S/C8H15N/c1-9-6-7-3-2-4-8(9)5-7/h7-9H,1-6H2/t7-,8-/m1/s1
InChIKeyHLLRDBBOHRLEQI-HTQZYQBOSA-N
MW125.22 g/mol
LogP0.24
Rot. Bonds

About (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane

(1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane (PubChem CID 59704398) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane
PubChem CID59704398
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane
SMILES[CH2-][NH+]1C[C@@H]2CCC[C@@H]1C2
InChIInChI=1S/C8H15N/c1-9-6-7-3-2-4-8(9)5-7/h7-9H,1-6H2/t7-,8-/m1/s1
InChIKeyHLLRDBBOHRLEQI-HTQZYQBOSA-N
XLogP0.24
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane 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 (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane (CID 59704398) is (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane is [CH2-][NH+]1C[C@@H]2CCC[C@@H]1C2.
What is the InChIKey of (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane?
The InChIKey is HLLRDBBOHRLEQI-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15N/c1-9-6-7-3-2-4-8(9)5-7/h7-9H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane?
(1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane has a molecular weight of 125.22 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-methanidyl-6-azoniabicyclo[3.2.1]octane is sourced from PubChem (CID 59704398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).