15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine

C15H15N3 — CID 87433202

IUPAC15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine
SMILESNC1=CC2=CC=C3CCC=CC3=C3NNC(=C23)C1
InChIInChI=1S/C15H15N3/c16-11-7-10-6-5-9-3-1-2-4-12(9)15-14(10)13(8-11)17-18-15/h2,4-7,17-18H,1,3,8,16H2
InChIKeyWGYOXOYQXAKXOU-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.07
Rot. Bonds

About 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine

15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine (PubChem CID 87433202) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine.

Molecular Properties

Compound Name15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine
PubChem CID87433202
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine
SMILESNC1=CC2=CC=C3CCC=CC3=C3NNC(=C23)C1
InChIInChI=1S/C15H15N3/c16-11-7-10-6-5-9-3-1-2-4-12(9)15-14(10)13(8-11)17-18-15/h2,4-7,17-18H,1,3,8,16H2
InChIKeyWGYOXOYQXAKXOU-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine?
The IUPAC name of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine (CID 87433202) is 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine.
What is the SMILES notation for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine?
The canonical SMILES for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine is NC1=CC2=CC=C3CCC=CC3=C3NNC(=C23)C1.
What is the InChIKey of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine?
The InChIKey is WGYOXOYQXAKXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-11-7-10-6-5-9-3-1-2-4-12(9)15-14(10)13(8-11)17-18-15/h2,4-7,17-18H,1,3,8,16H2.
What are the key properties of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine?
15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine has a molecular weight of 237.31 g/mol, XLogP of 2.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine is sourced from PubChem (CID 87433202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).