9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C24H28N2 — CID 15149381

IUPAC9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCn1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1
InChIInChI=1S/C24H28N2/c1-25-21-13-6-5-12-20(21)24-22-15-14-19(17-23(24)25)26(22)16-8-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13,19,22H,7-8,11,14-17H2,1H3
InChIKeyWSPJJPNQUVUIAC-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.26
Rot. Bonds5

About 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149381) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149381
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCn1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1
InChIInChI=1S/C24H28N2/c1-25-21-13-6-5-12-20(21)24-22-15-14-19(17-23(24)25)26(22)16-8-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13,19,22H,7-8,11,14-17H2,1H3
InChIKeyWSPJJPNQUVUIAC-UHFFFAOYSA-N
XLogP5.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149381) is 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Cn1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1.
What is the InChIKey of 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is WSPJJPNQUVUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-25-21-13-6-5-12-20(21)24-22-15-14-19(17-23(24)25)26(22)16-8-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13,19,22H,7-8,11,14-17H2,1H3.
What are the key properties of 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
9-methyl-15-(4-phenylbutyl)-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 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-15-(4-phenylbutyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).