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

C21H46N2 — CID 159963485

IUPAC2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane
SMILESC.C.C.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C
InChIInChI=1S/2C9H17N.3CH4/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;3*1H4
InChIKeyODPXHQNNGFHZQP-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.52
Rot. Bonds

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

2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane (PubChem CID 159963485) has the molecular formula C21H46N2 and a molecular weight of 326.61 g/mol. Its IUPAC name is 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane.

Molecular Properties

Compound Name2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane
PubChem CID159963485
Molecular FormulaC21H46N2
Molecular Weight326.61 g/mol
Exact Mass326.37
IUPAC Name2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane
SMILESC.C.C.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C
InChIInChI=1S/2C9H17N.3CH4/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;3*1H4
InChIKeyODPXHQNNGFHZQP-UHFFFAOYSA-N
XLogP5.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.52
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;methane?
The IUPAC name of 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane (CID 159963485) is 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane.
What is the SMILES notation for 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane?
The canonical SMILES for 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane is C.C.C.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;methane?
The InChIKey is ODPXHQNNGFHZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N.3CH4/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;3*1H4.
What are the key properties of 2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane?
2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane has a molecular weight of 326.61 g/mol, XLogP of 5.52, 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;methane is sourced from PubChem (CID 159963485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).