2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine

C13H18ClN3 — CID 114196253

IUPAC2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine
SMILESNc1cc(Cl)cnc1N1CC2CCCC(C2)C1
InChIInChI=1S/C13H18ClN3/c14-11-5-12(15)13(16-6-11)17-7-9-2-1-3-10(4-9)8-17/h5-6,9-10H,1-4,7-8,15H2
InChIKeyKPBRHDJQWWQBNM-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.94
Rot. Bonds1

About 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine

2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine (PubChem CID 114196253) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine
PubChem CID114196253
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine
SMILESNc1cc(Cl)cnc1N1CC2CCCC(C2)C1
InChIInChI=1S/C13H18ClN3/c14-11-5-12(15)13(16-6-11)17-7-9-2-1-3-10(4-9)8-17/h5-6,9-10H,1-4,7-8,15H2
InChIKeyKPBRHDJQWWQBNM-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine?
The IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine (CID 114196253) is 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine.
What is the SMILES notation for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine?
The canonical SMILES for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine is Nc1cc(Cl)cnc1N1CC2CCCC(C2)C1.
What is the InChIKey of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine?
The InChIKey is KPBRHDJQWWQBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-11-5-12(15)13(16-6-11)17-7-9-2-1-3-10(4-9)8-17/h5-6,9-10H,1-4,7-8,15H2.
What are the key properties of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine?
2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine has a molecular weight of 251.76 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine is sourced from PubChem (CID 114196253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).