1-azabicyclo[2.2.1]heptan-4-ylmethanimine

C7H12N2 — CID 90127452

IUPAC1-azabicyclo[2.2.1]heptan-4-ylmethanimine
SMILES[H]/N=C/C12CCN(CC1)C2
InChIInChI=1S/C7H12N2/c8-5-7-1-3-9(6-7)4-2-7/h5,8H,1-4,6H2/b8-5+
InChIKeyQVJNPSGVKIUMNV-VMPITWQZSA-N
MW124.19 g/mol
LogP0.73
Rot. Bonds1

About 1-azabicyclo[2.2.1]heptan-4-ylmethanimine

1-azabicyclo[2.2.1]heptan-4-ylmethanimine (PubChem CID 90127452) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-4-ylmethanimine.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-4-ylmethanimine
PubChem CID90127452
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-azabicyclo[2.2.1]heptan-4-ylmethanimine
SMILES[H]/N=C/C12CCN(CC1)C2
InChIInChI=1S/C7H12N2/c8-5-7-1-3-9(6-7)4-2-7/h5,8H,1-4,6H2/b8-5+
InChIKeyQVJNPSGVKIUMNV-VMPITWQZSA-N
XLogP0.73
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-azabicyclo[2.2.1]heptan-4-ylmethanimine 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 1-azabicyclo[2.2.1]heptan-4-ylmethanimine?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-4-ylmethanimine (CID 90127452) is 1-azabicyclo[2.2.1]heptan-4-ylmethanimine.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-4-ylmethanimine?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-4-ylmethanimine is [H]/N=C/C12CCN(CC1)C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-4-ylmethanimine?
The InChIKey is QVJNPSGVKIUMNV-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2/c8-5-7-1-3-9(6-7)4-2-7/h5,8H,1-4,6H2/b8-5+.
What are the key properties of 1-azabicyclo[2.2.1]heptan-4-ylmethanimine?
1-azabicyclo[2.2.1]heptan-4-ylmethanimine has a molecular weight of 124.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-4-ylmethanimine is sourced from PubChem (CID 90127452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).