6,8-dimethyl-8-azabicyclo[3.2.1]octane

C9H17N — CID 20649381

IUPAC6,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCCC1N2C
InChIInChI=1S/C9H17N/c1-7-6-8-4-3-5-9(7)10(8)2/h7-9H,3-6H2,1-2H3
InChIKeyBOWBWXUGZKISLR-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About 6,8-dimethyl-8-azabicyclo[3.2.1]octane

6,8-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 20649381) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6,8-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6,8-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID20649381
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCCC1N2C
InChIInChI=1S/C9H17N/c1-7-6-8-4-3-5-9(7)10(8)2/h7-9H,3-6H2,1-2H3
InChIKeyBOWBWXUGZKISLR-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 6,8-dimethyl-8-azabicyclo[3.2.1]octane (CID 20649381) is 6,8-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6,8-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 6,8-dimethyl-8-azabicyclo[3.2.1]octane is CC1CC2CCCC1N2C.
What is the InChIKey of 6,8-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is BOWBWXUGZKISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-6-8-4-3-5-9(7)10(8)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-8-azabicyclo[3.2.1]octane?
6,8-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20649381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).