bicyclo[2.2.2]octane-1-carboximidamide

C9H16N2 — CID 141169687

IUPACbicyclo[2.2.2]octane-1-carboximidamide
SMILES[H]/N=C(\N)C12CCC(CC1)CC2
InChIInChI=1S/C9H16N2/c10-8(11)9-4-1-7(2-5-9)3-6-9/h7H,1-6H2,(H3,10,11)
InChIKeyIJSHIZWRMVWGAI-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds1

About bicyclo[2.2.2]octane-1-carboximidamide

bicyclo[2.2.2]octane-1-carboximidamide (PubChem CID 141169687) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is bicyclo[2.2.2]octane-1-carboximidamide.

Molecular Properties

Compound Namebicyclo[2.2.2]octane-1-carboximidamide
PubChem CID141169687
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Namebicyclo[2.2.2]octane-1-carboximidamide
SMILES[H]/N=C(\N)C12CCC(CC1)CC2
InChIInChI=1S/C9H16N2/c10-8(11)9-4-1-7(2-5-9)3-6-9/h7H,1-6H2,(H3,10,11)
InChIKeyIJSHIZWRMVWGAI-UHFFFAOYSA-N
XLogP1.89
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octane-1-carboximidamide?
The IUPAC name of bicyclo[2.2.2]octane-1-carboximidamide (CID 141169687) is bicyclo[2.2.2]octane-1-carboximidamide.
What is the SMILES notation for bicyclo[2.2.2]octane-1-carboximidamide?
The canonical SMILES for bicyclo[2.2.2]octane-1-carboximidamide is [H]/N=C(\N)C12CCC(CC1)CC2.
What is the InChIKey of bicyclo[2.2.2]octane-1-carboximidamide?
The InChIKey is IJSHIZWRMVWGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-8(11)9-4-1-7(2-5-9)3-6-9/h7H,1-6H2,(H3,10,11).
What are the key properties of bicyclo[2.2.2]octane-1-carboximidamide?
bicyclo[2.2.2]octane-1-carboximidamide has a molecular weight of 152.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octane-1-carboximidamide is sourced from PubChem (CID 141169687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).