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

C26H32N2 — CID 15149419

IUPAC15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCC(C)n1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1
InChIInChI=1S/C26H32N2/c1-19(2)28-23-14-7-6-13-22(23)26-24-16-15-21(18-25(26)28)27(24)17-9-8-12-20-10-4-3-5-11-20/h3-7,10-11,13-14,19,21,24H,8-9,12,15-18H2,1-2H3
InChIKeyDPCGTROJFNXOEE-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.31
Rot. Bonds6

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

15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149419) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149419
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCC(C)n1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1
InChIInChI=1S/C26H32N2/c1-19(2)28-23-14-7-6-13-22(23)26-24-16-15-21(18-25(26)28)27(24)17-9-8-12-20-10-4-3-5-11-20/h3-7,10-11,13-14,19,21,24H,8-9,12,15-18H2,1-2H3
InChIKeyDPCGTROJFNXOEE-UHFFFAOYSA-N
XLogP6.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149419) is 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is CC(C)n1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1.
What is the InChIKey of 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is DPCGTROJFNXOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-19(2)28-23-14-7-6-13-22(23)26-24-16-15-21(18-25(26)28)27(24)17-9-8-12-20-10-4-3-5-11-20/h3-7,10-11,13-14,19,21,24H,8-9,12,15-18H2,1-2H3.
What are the key properties of 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 372.56 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-phenylbutyl)-9-propan-2-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).