8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride

C12H19Cl2N3 — CID 91623876

IUPAC8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CC2CCC(C1)N2c1ccncc1
InChIInChI=1S/C12H17N3.2ClH/c13-9-7-11-1-2-12(8-9)15(11)10-3-5-14-6-4-10;;/h3-6,9,11-12H,1-2,7-8,13H2;2*1H
InChIKeyICCAPFAEDWZFST-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.38
Rot. Bonds1

About 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride

8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride (PubChem CID 91623876) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride.

Molecular Properties

Compound Name8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
PubChem CID91623876
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Name8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CC2CCC(C1)N2c1ccncc1
InChIInChI=1S/C12H17N3.2ClH/c13-9-7-11-1-2-12(8-9)15(11)10-3-5-14-6-4-10;;/h3-6,9,11-12H,1-2,7-8,13H2;2*1H
InChIKeyICCAPFAEDWZFST-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane
CID 122269072
8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
CID 91623873
8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65275934
9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63180563
8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 46743298
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine
CID 117050368
4-(2,5-dimethylpyrrolidin-1-yl)pyridine
CID 57275656
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide
CID 61234100
8-(4-chloro-3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740562
8-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83062615

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
The IUPAC name of 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride (CID 91623876) is 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride.
What is the SMILES notation for 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
The canonical SMILES for 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride is Cl.Cl.NC1CC2CCC(C1)N2c1ccncc1.
What is the InChIKey of 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
The InChIKey is ICCAPFAEDWZFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.2ClH/c13-9-7-11-1-2-12(8-9)15(11)10-3-5-14-6-4-10;;/h3-6,9,11-12H,1-2,7-8,13H2;2*1H.
What are the key properties of 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride has a molecular weight of 276.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride is sourced from PubChem (CID 91623876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).