15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine

C18H19N5 — CID 53491617

IUPAC15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
SMILES[N-]=[N+]=NCCC1=CC2Cc3nc4ccccc4c(N)c3C(C1)C2
InChIInChI=1S/C18H19N5/c19-18-14-3-1-2-4-15(14)22-16-10-12-7-11(5-6-21-23-20)8-13(9-12)17(16)18/h1-4,7,12-13H,5-6,8-10H2,(H2,19,22)
InChIKeyRQTGDOKIAWZKNF-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.49
Rot. Bonds3

About 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine

15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine (PubChem CID 53491617) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine.

Molecular Properties

Compound Name15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
PubChem CID53491617
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
SMILES[N-]=[N+]=NCCC1=CC2Cc3nc4ccccc4c(N)c3C(C1)C2
InChIInChI=1S/C18H19N5/c19-18-14-3-1-2-4-15(14)22-16-10-12-7-11(5-6-21-23-20)8-13(9-12)17(16)18/h1-4,7,12-13H,5-6,8-10H2,(H2,19,22)
InChIKeyRQTGDOKIAWZKNF-UHFFFAOYSA-N
XLogP4.49
TPSA87.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
The IUPAC name of 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine (CID 53491617) is 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine.
What is the SMILES notation for 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
The canonical SMILES for 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine is [N-]=[N+]=NCCC1=CC2Cc3nc4ccccc4c(N)c3C(C1)C2.
What is the InChIKey of 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
The InChIKey is RQTGDOKIAWZKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c19-18-14-3-1-2-4-15(14)22-16-10-12-7-11(5-6-21-23-20)8-13(9-12)17(16)18/h1-4,7,12-13H,5-6,8-10H2,(H2,19,22).
What are the key properties of 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine has a molecular weight of 305.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-azidoethyl)-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine is sourced from PubChem (CID 53491617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).