tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine

C12H15N — CID 89381122

IUPACtetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine
SMILES[H]/N=C1\CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C12H15N/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-9,11-13H,3-5H2/b13-10+
InChIKeyOULGZWXRRYHOMW-JLHYYAGUSA-N
MW173.26 g/mol
LogP2.48
Rot. Bonds

About tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine

tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine (PubChem CID 89381122) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine.

Molecular Properties

Compound Nametetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine
PubChem CID89381122
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Nametetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine
SMILES[H]/N=C1\CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C12H15N/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-9,11-13H,3-5H2/b13-10+
InChIKeyOULGZWXRRYHOMW-JLHYYAGUSA-N
XLogP2.48
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'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 tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine?
The IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine (CID 89381122) is tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine.
What is the SMILES notation for tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine?
The canonical SMILES for tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine is [H]/N=C1\CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine?
The InChIKey is OULGZWXRRYHOMW-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15N/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-9,11-13H,3-5H2/b13-10+.
What are the key properties of tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine?
tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine has a molecular weight of 173.26 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine is sourced from PubChem (CID 89381122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).