8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H23N3O — CID 82892806

IUPAC8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(C)nc(CN2C3CCC2CC(N)C3)c1
InChIInChI=1S/C15H23N3O/c1-10-5-15(19-2)8-12(17-10)9-18-13-3-4-14(18)7-11(16)6-13/h5,8,11,13-14H,3-4,6-7,9,16H2,1-2H3
InChIKeyQJRGVMGGOGGVCE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.85
Rot. Bonds3

About 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 82892806) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID82892806
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(C)nc(CN2C3CCC2CC(N)C3)c1
InChIInChI=1S/C15H23N3O/c1-10-5-15(19-2)8-12(17-10)9-18-13-3-4-14(18)7-11(16)6-13/h5,8,11,13-14H,3-4,6-7,9,16H2,1-2H3
InChIKeyQJRGVMGGOGGVCE-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 82892806) is 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is COc1cc(C)nc(CN2C3CCC2CC(N)C3)c1.
What is the InChIKey of 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QJRGVMGGOGGVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-5-15(19-2)8-12(17-10)9-18-13-3-4-14(18)7-11(16)6-13/h5,8,11,13-14H,3-4,6-7,9,16H2,1-2H3.
What are the key properties of 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 261.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 82892806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).