8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane

C18H21N — CID 91320470

IUPAC8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(c1cccc3ccccc13)C2
InChIInChI=1S/C18H21N/c1-19-15-9-10-16(19)12-14(11-15)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3
InChIKeyQEZDWHHDQFAVIY-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.18
Rot. Bonds1

About 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane

8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane (PubChem CID 91320470) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane
PubChem CID91320470
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(c1cccc3ccccc13)C2
InChIInChI=1S/C18H21N/c1-19-15-9-10-16(19)12-14(11-15)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3
InChIKeyQEZDWHHDQFAVIY-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane (CID 91320470) is 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(c1cccc3ccccc13)C2.
What is the InChIKey of 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is QEZDWHHDQFAVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19-15-9-10-16(19)12-14(11-15)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3.
What are the key properties of 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane?
8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 251.37 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 91320470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).