bicyclo[2.2.2]octan-2-imine

C8H13N — CID 71442503

IUPACbicyclo[2.2.2]octan-2-imine
SMILES[H]/N=C1\CC2CCC1CC2
InChIInChI=1S/C8H13N/c9-8-5-6-1-3-7(8)4-2-6/h6-7,9H,1-5H2/b9-8+
InChIKeyWJNSNTUHOFIGMT-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.22
Rot. Bonds

About bicyclo[2.2.2]octan-2-imine

bicyclo[2.2.2]octan-2-imine (PubChem CID 71442503) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is bicyclo[2.2.2]octan-2-imine.

Molecular Properties

Compound Namebicyclo[2.2.2]octan-2-imine
PubChem CID71442503
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Namebicyclo[2.2.2]octan-2-imine
SMILES[H]/N=C1\CC2CCC1CC2
InChIInChI=1S/C8H13N/c9-8-5-6-1-3-7(8)4-2-6/h6-7,9H,1-5H2/b9-8+
InChIKeyWJNSNTUHOFIGMT-CMDGGOBGSA-N
XLogP2.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octan-2-imine?
The IUPAC name of bicyclo[2.2.2]octan-2-imine (CID 71442503) is bicyclo[2.2.2]octan-2-imine.
What is the SMILES notation for bicyclo[2.2.2]octan-2-imine?
The canonical SMILES for bicyclo[2.2.2]octan-2-imine is [H]/N=C1\CC2CCC1CC2.
What is the InChIKey of bicyclo[2.2.2]octan-2-imine?
The InChIKey is WJNSNTUHOFIGMT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c9-8-5-6-1-3-7(8)4-2-6/h6-7,9H,1-5H2/b9-8+.
What are the key properties of bicyclo[2.2.2]octan-2-imine?
bicyclo[2.2.2]octan-2-imine has a molecular weight of 123.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octan-2-imine is sourced from PubChem (CID 71442503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).