2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile

C10H16N2 — CID 130878823

IUPAC2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile
SMILESCNC1(C#N)CC2CCC1CC2
InChIInChI=1S/C10H16N2/c1-12-10(7-11)6-8-2-4-9(10)5-3-8/h8-9,12H,2-6H2,1H3
InChIKeyMAFDVLGDBSSFFT-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.68
Rot. Bonds1

About 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile

2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile (PubChem CID 130878823) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile
PubChem CID130878823
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile
SMILESCNC1(C#N)CC2CCC1CC2
InChIInChI=1S/C10H16N2/c1-12-10(7-11)6-8-2-4-9(10)5-3-8/h8-9,12H,2-6H2,1H3
InChIKeyMAFDVLGDBSSFFT-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile?
The IUPAC name of 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile (CID 130878823) is 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile.
What is the SMILES notation for 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile?
The canonical SMILES for 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile is CNC1(C#N)CC2CCC1CC2.
What is the InChIKey of 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile?
The InChIKey is MAFDVLGDBSSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-10(7-11)6-8-2-4-9(10)5-3-8/h8-9,12H,2-6H2,1H3.
What are the key properties of 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile?
2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile is sourced from PubChem (CID 130878823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).