15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine

C15H13N3 — CID 10149166

IUPAC15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine
SMILESNc1cccc2c1CCc1cccc3[nH]nc-2c13
InChIInChI=1S/C15H13N3/c16-12-5-2-4-11-10(12)8-7-9-3-1-6-13-14(9)15(11)18-17-13/h1-6H,7-8,16H2,(H,17,18)
InChIKeyZRVCWUIUKXJJIC-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.91
Rot. Bonds

About 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine

15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine (PubChem CID 10149166) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine.

Molecular Properties

Compound Name15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine
PubChem CID10149166
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine
SMILESNc1cccc2c1CCc1cccc3[nH]nc-2c13
InChIInChI=1S/C15H13N3/c16-12-5-2-4-11-10(12)8-7-9-3-1-6-13-14(9)15(11)18-17-13/h1-6H,7-8,16H2,(H,17,18)
InChIKeyZRVCWUIUKXJJIC-UHFFFAOYSA-N
XLogP2.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine?
The IUPAC name of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine (CID 10149166) is 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine.
What is the SMILES notation for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine?
The canonical SMILES for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine is Nc1cccc2c1CCc1cccc3[nH]nc-2c13.
What is the InChIKey of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine?
The InChIKey is ZRVCWUIUKXJJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-12-5-2-4-11-10(12)8-7-9-3-1-6-13-14(9)15(11)18-17-13/h1-6H,7-8,16H2,(H,17,18).
What are the key properties of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine?
15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine has a molecular weight of 235.29 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine is sourced from PubChem (CID 10149166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).