4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile

C10H16N2 — CID 137347137

IUPAC4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile
SMILESCNC12CCC(C#N)(CC1)CC2
InChIInChI=1S/C10H16N2/c1-12-10-5-2-9(8-11,3-6-10)4-7-10/h12H,2-7H2,1H3
InChIKeyUGGTZBIOFNHGJR-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.82
Rot. Bonds1

About 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile

4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile (PubChem CID 137347137) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile.

Molecular Properties

Compound Name4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile
PubChem CID137347137
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile
SMILESCNC12CCC(C#N)(CC1)CC2
InChIInChI=1S/C10H16N2/c1-12-10-5-2-9(8-11,3-6-10)4-7-10/h12H,2-7H2,1H3
InChIKeyUGGTZBIOFNHGJR-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile?
The IUPAC name of 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile (CID 137347137) is 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile.
What is the SMILES notation for 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile?
The canonical SMILES for 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile is CNC12CCC(C#N)(CC1)CC2.
What is the InChIKey of 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile?
The InChIKey is UGGTZBIOFNHGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-10-5-2-9(8-11,3-6-10)4-7-10/h12H,2-7H2,1H3.
What are the key properties of 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile?
4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile is sourced from PubChem (CID 137347137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).