5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol

C19H23NO — CID 110923925

IUPAC5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
SMILESOCCCCCN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C19H23NO/c21-13-7-1-6-12-20-14-16-8-2-4-10-18(16)19-11-5-3-9-17(19)15-20/h2-5,8-11,21H,1,6-7,12-15H2
InChIKeyRISGPETXTSPVAS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds5

About 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol

5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol (PubChem CID 110923925) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
PubChem CID110923925
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
SMILESOCCCCCN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C19H23NO/c21-13-7-1-6-12-20-14-16-8-2-4-10-18(16)19-11-5-3-9-17(19)15-20/h2-5,8-11,21H,1,6-7,12-15H2
InChIKeyRISGPETXTSPVAS-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
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 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol?
The IUPAC name of 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol (CID 110923925) is 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol.
What is the SMILES notation for 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol?
The canonical SMILES for 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol is OCCCCCN1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol?
The InChIKey is RISGPETXTSPVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-13-7-1-6-12-20-14-16-8-2-4-10-18(16)19-11-5-3-9-17(19)15-20/h2-5,8-11,21H,1,6-7,12-15H2.
What are the key properties of 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol?
5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol is sourced from PubChem (CID 110923925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).