17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene

C16H25N — CID 102340660

IUPAC17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
SMILESc1cc2nc(c1)CCCCCCCCCCC2
InChIInChI=1S/C16H25N/c1-2-4-6-8-11-15-13-10-14-16(17-15)12-9-7-5-3-1/h10,13-14H,1-9,11-12H2
InChIKeyBHIOKXYOFQCOOW-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.69
Rot. Bonds

About 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene

17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene (PubChem CID 102340660) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene.

Molecular Properties

Compound Name17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
PubChem CID102340660
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
SMILESc1cc2nc(c1)CCCCCCCCCCC2
InChIInChI=1S/C16H25N/c1-2-4-6-8-11-15-13-10-14-16(17-15)12-9-7-5-3-1/h10,13-14H,1-9,11-12H2
InChIKeyBHIOKXYOFQCOOW-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The IUPAC name of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene (CID 102340660) is 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene.
What is the SMILES notation for 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The canonical SMILES for 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene is c1cc2nc(c1)CCCCCCCCCCC2.
What is the InChIKey of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The InChIKey is BHIOKXYOFQCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-4-6-8-11-15-13-10-14-16(17-15)12-9-7-5-3-1/h10,13-14H,1-9,11-12H2.
What are the key properties of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene has a molecular weight of 231.38 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene is sourced from PubChem (CID 102340660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).