2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane

C18H34N2 — CID 159718711

IUPAC2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C
InChIInChI=1S/2C9H17N/c1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2/h2*7-9H,3-6H2,1-2H3
InChIKeyMZTIUEFQTWUEIU-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.62
Rot. Bonds

About 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane

2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 159718711) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID159718711
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C
InChIInChI=1S/2C9H17N/c1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2/h2*7-9H,3-6H2,1-2H3
InChIKeyMZTIUEFQTWUEIU-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane (CID 159718711) is 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.
What is the InChIKey of 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MZTIUEFQTWUEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N/c1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2/h2*7-9H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane?
2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 278.48 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 159718711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).