cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine

C11H15IN2O — CID 134601508

IUPACcis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine
SMILESCN[C@H]1CCC[C@H]1Oc1ccc(I)nc1
InChIInChI=1S/C11H15IN2O/c1-13-9-3-2-4-10(9)15-8-5-6-11(12)14-7-8/h5-7,9-10,13H,2-4H2,1H3/t9-,10+/m0/s1
InChIKeySTYNZFIXPGYOAU-VHSXEESVSA-N
MW318.16 g/mol
LogP2.21
Rot. Bonds3

About cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine

cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine (PubChem CID 134601508) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine
PubChem CID134601508
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Namecis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine
SMILESCN[C@H]1CCC[C@H]1Oc1ccc(I)nc1
InChIInChI=1S/C11H15IN2O/c1-13-9-3-2-4-10(9)15-8-5-6-11(12)14-7-8/h5-7,9-10,13H,2-4H2,1H3/t9-,10+/m0/s1
InChIKeySTYNZFIXPGYOAU-VHSXEESVSA-N
XLogP2.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine 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 cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine (CID 134601508) is cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine is CN[C@H]1CCC[C@H]1Oc1ccc(I)nc1.
What is the InChIKey of cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine?
The InChIKey is STYNZFIXPGYOAU-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-13-9-3-2-4-10(9)15-8-5-6-11(12)14-7-8/h5-7,9-10,13H,2-4H2,1H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine?
cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine has a molecular weight of 318.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 134601508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).