9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C15H23N3O — CID 62992716

IUPAC9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1cc(CN2C3CCCC2CC(N)C3)ccn1
InChIInChI=1S/C15H23N3O/c1-19-15-7-11(5-6-17-15)10-18-13-3-2-4-14(18)9-12(16)8-13/h5-7,12-14H,2-4,8-10,16H2,1H3
InChIKeyZURCMONZUBSRFN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.93
Rot. Bonds3

About 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62992716) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62992716
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1cc(CN2C3CCCC2CC(N)C3)ccn1
InChIInChI=1S/C15H23N3O/c1-19-15-7-11(5-6-17-15)10-18-13-3-2-4-14(18)9-12(16)8-13/h5-7,12-14H,2-4,8-10,16H2,1H3
InChIKeyZURCMONZUBSRFN-UHFFFAOYSA-N
XLogP1.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 62992716) is 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is COc1cc(CN2C3CCCC2CC(N)C3)ccn1.
What is the InChIKey of 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZURCMONZUBSRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-15-7-11(5-6-17-15)10-18-13-3-2-4-14(18)9-12(16)8-13/h5-7,12-14H,2-4,8-10,16H2,1H3.
What are the key properties of 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 261.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62992716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).