8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane

C15H21N — CID 90754912

IUPAC8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C15H21N/c1-11-4-3-5-12(8-11)13-9-14-6-7-15(10-13)16(14)2/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyGWWXJGPNYWEAES-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds1

About 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane

8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 90754912) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID90754912
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C15H21N/c1-11-4-3-5-12(8-11)13-9-14-6-7-15(10-13)16(14)2/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyGWWXJGPNYWEAES-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane (CID 90754912) is 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane is Cc1cccc(C2CC3CCC(C2)N3C)c1.
What is the InChIKey of 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is GWWXJGPNYWEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-4-3-5-12(8-11)13-9-14-6-7-15(10-13)16(14)2/h3-5,8,13-15H,6-7,9-10H2,1-2H3.
What are the key properties of 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane?
8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 215.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90754912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).