N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine

C26H34N2 — CID 19771569

IUPACN-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine
SMILESCN1CCCCCCCCCCC/C1=N\C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34N2/c1-28-20-14-8-6-4-2-3-5-7-9-19-25(28)27-26-23-17-12-10-15-21(23)22-16-11-13-18-24(22)26/h10-13,15-18,26H,2-9,14,19-20H2,1H3/b27-25+
InChIKeyOSZCWHIIOBJVCA-IMVLJIQESA-N
MW374.57 g/mol
LogP7.00
Rot. Bonds1

About N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine

N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine (PubChem CID 19771569) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine
PubChem CID19771569
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC NameN-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine
SMILESCN1CCCCCCCCCCC/C1=N\C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34N2/c1-28-20-14-8-6-4-2-3-5-7-9-19-25(28)27-26-23-17-12-10-15-21(23)22-16-11-13-18-24(22)26/h10-13,15-18,26H,2-9,14,19-20H2,1H3/b27-25+
InChIKeyOSZCWHIIOBJVCA-IMVLJIQESA-N
XLogP7.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine?
The IUPAC name of N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine (CID 19771569) is N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine.
What is the SMILES notation for N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine?
The canonical SMILES for N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine is CN1CCCCCCCCCCC/C1=N\C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine?
The InChIKey is OSZCWHIIOBJVCA-IMVLJIQESA-N. The full InChI is InChI=1S/C26H34N2/c1-28-20-14-8-6-4-2-3-5-7-9-19-25(28)27-26-23-17-12-10-15-21(23)22-16-11-13-18-24(22)26/h10-13,15-18,26H,2-9,14,19-20H2,1H3/b27-25+.
What are the key properties of N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine?
N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine has a molecular weight of 374.57 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-1-methyl-azacyclotridecan-2-imine is sourced from PubChem (CID 19771569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).