1-azabicyclo[2.2.2]octane;1-methylpyrrolidine

C12H24N2 — CID 70134138

IUPAC1-azabicyclo[2.2.2]octane;1-methylpyrrolidine
SMILESC1CN2CCC1CC2.CN1CCCC1
InChIInChI=1S/C7H13N.C5H11N/c1-4-8-5-2-7(1)3-6-8;1-6-4-2-3-5-6/h7H,1-6H2;2-5H2,1H3
InChIKeyDPHXJPBJXGFQHI-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds

About 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine

1-azabicyclo[2.2.2]octane;1-methylpyrrolidine (PubChem CID 70134138) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octane;1-methylpyrrolidine
PubChem CID70134138
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-azabicyclo[2.2.2]octane;1-methylpyrrolidine
SMILESC1CN2CCC1CC2.CN1CCCC1
InChIInChI=1S/C7H13N.C5H11N/c1-4-8-5-2-7(1)3-6-8;1-6-4-2-3-5-6/h7H,1-6H2;2-5H2,1H3
InChIKeyDPHXJPBJXGFQHI-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine?
The IUPAC name of 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine (CID 70134138) is 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine.
What is the SMILES notation for 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine?
The canonical SMILES for 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine is C1CN2CCC1CC2.CN1CCCC1.
What is the InChIKey of 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine?
The InChIKey is DPHXJPBJXGFQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C5H11N/c1-4-8-5-2-7(1)3-6-8;1-6-4-2-3-5-6/h7H,1-6H2;2-5H2,1H3.
What are the key properties of 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine?
1-azabicyclo[2.2.2]octane;1-methylpyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octane;1-methylpyrrolidine is sourced from PubChem (CID 70134138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).