10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene

C16H21N — CID 20593971

IUPAC10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene
SMILESc1ccc2c(c1)CCN1CCCC13CCCC23
InChIInChI=1S/C16H21N/c1-2-6-14-13(5-1)8-12-17-11-4-10-16(17)9-3-7-15(14)16/h1-2,5-6,15H,3-4,7-12H2
InChIKeyJPTHFFGLKVWXQY-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.34
Rot. Bonds

About 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene

10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene (PubChem CID 20593971) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene.

Molecular Properties

Compound Name10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene
PubChem CID20593971
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene
SMILESc1ccc2c(c1)CCN1CCCC13CCCC23
InChIInChI=1S/C16H21N/c1-2-6-14-13(5-1)8-12-17-11-4-10-16(17)9-3-7-15(14)16/h1-2,5-6,15H,3-4,7-12H2
InChIKeyJPTHFFGLKVWXQY-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene?
The IUPAC name of 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene (CID 20593971) is 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene.
What is the SMILES notation for 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene?
The canonical SMILES for 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene is c1ccc2c(c1)CCN1CCCC13CCCC23.
What is the InChIKey of 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene?
The InChIKey is JPTHFFGLKVWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-6-14-13(5-1)8-12-17-11-4-10-16(17)9-3-7-15(14)16/h1-2,5-6,15H,3-4,7-12H2.
What are the key properties of 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene?
10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene has a molecular weight of 227.35 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene is sourced from PubChem (CID 20593971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).