1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine

C11H17N — CID 14921524

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine
SMILESCCC/N=C/C1CC2C=CC1C2
InChIInChI=1S/C11H17N/c1-2-5-12-8-11-7-9-3-4-10(11)6-9/h3-4,8-11H,2,5-7H2,1H3/b12-8+
InChIKeyBSFCFCLCQLOIQP-XYOKQWHBSA-N
MW163.26 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine (PubChem CID 14921524) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine
PubChem CID14921524
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine
SMILESCCC/N=C/C1CC2C=CC1C2
InChIInChI=1S/C11H17N/c1-2-5-12-8-11-7-9-3-4-10(11)6-9/h3-4,8-11H,2,5-7H2,1H3/b12-8+
InChIKeyBSFCFCLCQLOIQP-XYOKQWHBSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine (CID 14921524) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine is CCC/N=C/C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine?
The InChIKey is BSFCFCLCQLOIQP-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H17N/c1-2-5-12-8-11-7-9-3-4-10(11)6-9/h3-4,8-11H,2,5-7H2,1H3/b12-8+.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine has a molecular weight of 163.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylmethanimine is sourced from PubChem (CID 14921524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).