8-azabicyclo[3.2.1]octan-3-imine

C7H12N2 — CID 100950541

IUPAC8-azabicyclo[3.2.1]octan-3-imine
SMILES[H]N=C1CC2CCC(C1)N2
InChIInChI=1S/C7H12N2/c8-5-3-6-1-2-7(4-5)9-6/h6-9H,1-4H2
InChIKeyKZRAVEBUGZNHIC-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.92
Rot. Bonds

About 8-azabicyclo[3.2.1]octan-3-imine

8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 100950541) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-imine
PubChem CID100950541
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name8-azabicyclo[3.2.1]octan-3-imine
SMILES[H]N=C1CC2CCC(C1)N2
InChIInChI=1S/C7H12N2/c8-5-3-6-1-2-7(4-5)9-6/h6-9H,1-4H2
InChIKeyKZRAVEBUGZNHIC-UHFFFAOYSA-N
XLogP0.92
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-imine (CID 100950541) is 8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-imine is [H]N=C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is KZRAVEBUGZNHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-5-3-6-1-2-7(4-5)9-6/h6-9H,1-4H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-imine?
8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 124.19 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 100950541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).