15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C24H28N2 — CID 15149396

IUPAC15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CCCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C24H28N2/c1-3-9-18(10-4-1)11-5-2-8-16-26-19-14-15-23(26)24-20-12-6-7-13-21(20)25-22(24)17-19/h1,3-4,6-7,9-10,12-13,19,23,25H,2,5,8,11,14-17H2
InChIKeyYPYBLULGXVPCAF-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.64
Rot. Bonds6

About 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149396) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149396
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CCCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C24H28N2/c1-3-9-18(10-4-1)11-5-2-8-16-26-19-14-15-23(26)24-20-12-6-7-13-21(20)25-22(24)17-19/h1,3-4,6-7,9-10,12-13,19,23,25H,2,5,8,11,14-17H2
InChIKeyYPYBLULGXVPCAF-UHFFFAOYSA-N
XLogP5.64
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149396) is 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1ccc(CCCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1.
What is the InChIKey of 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is YPYBLULGXVPCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-3-9-18(10-4-1)11-5-2-8-16-26-19-14-15-23(26)24-20-12-6-7-13-21(20)25-22(24)17-19/h1,3-4,6-7,9-10,12-13,19,23,25H,2,5,8,11,14-17H2.
What are the key properties of 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 344.50 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(5-phenylpentyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).