(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

C12H16ClN3 — CID 87150791

IUPAC(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESClc1ccc(NC2C[C@H]3CC[C@@H](C2)N3)cn1
InChIInChI=1S/C12H16ClN3/c13-12-4-3-10(7-14-12)16-11-5-8-1-2-9(6-11)15-8/h3-4,7-9,11,15-16H,1-2,5-6H2/t8-,9+,11?
InChIKeyBKWSSKQXTMOGQF-SLHIUPAKSA-N
MW237.73 g/mol
LogP2.43
Rot. Bonds2

About (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 87150791) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID87150791
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESClc1ccc(NC2C[C@H]3CC[C@@H](C2)N3)cn1
InChIInChI=1S/C12H16ClN3/c13-12-4-3-10(7-14-12)16-11-5-8-1-2-9(6-11)15-8/h3-4,7-9,11,15-16H,1-2,5-6H2/t8-,9+,11?
InChIKeyBKWSSKQXTMOGQF-SLHIUPAKSA-N
XLogP2.43
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-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 (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 87150791) is (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is Clc1ccc(NC2C[C@H]3CC[C@@H](C2)N3)cn1.
What is the InChIKey of (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BKWSSKQXTMOGQF-SLHIUPAKSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-12-4-3-10(7-14-12)16-11-5-8-1-2-9(6-11)15-8/h3-4,7-9,11,15-16H,1-2,5-6H2/t8-,9+,11?.
What are the key properties of (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 237.73 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 87150791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).