9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H21N3O — CID 62712348

IUPAC9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccc(N2C3CCCC2CC(N)C3)cn1
InChIInChI=1S/C14H21N3O/c1-18-14-6-5-13(9-16-14)17-11-3-2-4-12(17)8-10(15)7-11/h5-6,9-12H,2-4,7-8,15H2,1H3
InChIKeyFXHVTWBSPKWLKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds2

About 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712348) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712348
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccc(N2C3CCCC2CC(N)C3)cn1
InChIInChI=1S/C14H21N3O/c1-18-14-6-5-13(9-16-14)17-11-3-2-4-12(17)8-10(15)7-11/h5-6,9-12H,2-4,7-8,15H2,1H3
InChIKeyFXHVTWBSPKWLKA-UHFFFAOYSA-N
XLogP1.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712348) is 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine is COc1ccc(N2C3CCCC2CC(N)C3)cn1.
What is the InChIKey of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FXHVTWBSPKWLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-14-6-5-13(9-16-14)17-11-3-2-4-12(17)8-10(15)7-11/h5-6,9-12H,2-4,7-8,15H2,1H3.
What are the key properties of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 247.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).