3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane

C15H26N2 — CID 66793174

IUPAC3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(C1CCC3CCN1C3)C2
InChIInChI=1S/C15H26N2/c1-16-13-3-4-14(16)9-12(8-13)15-5-2-11-6-7-17(15)10-11/h11-15H,2-10H2,1H3
InChIKeyBJSLZKJGDYBQTB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.34
Rot. Bonds1

About 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane

3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 66793174) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID66793174
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(C1CCC3CCN1C3)C2
InChIInChI=1S/C15H26N2/c1-16-13-3-4-14(16)9-12(8-13)15-5-2-11-6-7-17(15)10-11/h11-15H,2-10H2,1H3
InChIKeyBJSLZKJGDYBQTB-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 66793174) is 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(C1CCC3CCN1C3)C2.
What is the InChIKey of 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is BJSLZKJGDYBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-16-13-3-4-14(16)9-12(8-13)15-5-2-11-6-7-17(15)10-11/h11-15H,2-10H2,1H3.
What are the key properties of 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 234.39 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66793174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).