5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane

C11H21N — CID 23570320

IUPAC5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC1CC2CCC1CN2C(C)C
InChIInChI=1S/C11H21N/c1-8(2)12-7-10-4-5-11(12)6-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyGKGIRXCYRIWLQR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds1

About 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane

5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane (PubChem CID 23570320) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane
PubChem CID23570320
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC1CC2CCC1CN2C(C)C
InChIInChI=1S/C11H21N/c1-8(2)12-7-10-4-5-11(12)6-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyGKGIRXCYRIWLQR-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane (CID 23570320) is 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane is CC1CC2CCC1CN2C(C)C.
What is the InChIKey of 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The InChIKey is GKGIRXCYRIWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)12-7-10-4-5-11(12)6-9(10)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 23570320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).