2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene

C15H19N — CID 15212684

IUPAC2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene
SMILESc1ccc2c(c1)C1CCC2N2CCCCC12
InChIInChI=1S/C15H19N/c1-2-6-12-11(5-1)13-8-9-15(12)16-10-4-3-7-14(13)16/h1-2,5-6,13-15H,3-4,7-10H2
InChIKeyXUWUJNGIAHFEKU-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.47
Rot. Bonds

About 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene

2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene (PubChem CID 15212684) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene.

Molecular Properties

Compound Name2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene
PubChem CID15212684
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene
SMILESc1ccc2c(c1)C1CCC2N2CCCCC12
InChIInChI=1S/C15H19N/c1-2-6-12-11(5-1)13-8-9-15(12)16-10-4-3-7-14(13)16/h1-2,5-6,13-15H,3-4,7-10H2
InChIKeyXUWUJNGIAHFEKU-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene?
The IUPAC name of 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene (CID 15212684) is 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene.
What is the SMILES notation for 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene?
The canonical SMILES for 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene is c1ccc2c(c1)C1CCC2N2CCCCC12.
What is the InChIKey of 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene?
The InChIKey is XUWUJNGIAHFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-6-12-11(5-1)13-8-9-15(12)16-10-4-3-7-14(13)16/h1-2,5-6,13-15H,3-4,7-10H2.
What are the key properties of 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene?
2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene has a molecular weight of 213.32 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13-triene is sourced from PubChem (CID 15212684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).