2,7-bis[2-(butylamino)ethoxy]fluoren-9-one

C25H34N2O3 — CID 71698868

IUPAC2,7-bis[2-(butylamino)ethoxy]fluoren-9-one
SMILESCCCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCCCC)ccc1-2
InChIInChI=1S/C25H34N2O3/c1-3-5-11-26-13-15-29-19-7-9-21-22-10-8-20(30-16-14-27-12-6-4-2)18-24(22)25(28)23(21)17-19/h7-10,17-18,26-27H,3-6,11-16H2,1-2H3
InChIKeyXXTPYFAIKLBTJB-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.43
Rot. Bonds14

About 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one

2,7-bis[2-(butylamino)ethoxy]fluoren-9-one (PubChem CID 71698868) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(butylamino)ethoxy]fluoren-9-one
PubChem CID71698868
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2,7-bis[2-(butylamino)ethoxy]fluoren-9-one
SMILESCCCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCCCC)ccc1-2
InChIInChI=1S/C25H34N2O3/c1-3-5-11-26-13-15-29-19-7-9-21-22-10-8-20(30-16-14-27-12-6-4-2)18-24(22)25(28)23(21)17-19/h7-10,17-18,26-27H,3-6,11-16H2,1-2H3
InChIKeyXXTPYFAIKLBTJB-UHFFFAOYSA-N
XLogP4.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one (CID 71698868) is 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one is CCCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCCCC)ccc1-2.
What is the InChIKey of 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one?
The InChIKey is XXTPYFAIKLBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-3-5-11-26-13-15-29-19-7-9-21-22-10-8-20(30-16-14-27-12-6-4-2)18-24(22)25(28)23(21)17-19/h7-10,17-18,26-27H,3-6,11-16H2,1-2H3.
What are the key properties of 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one?
2,7-bis[2-(butylamino)ethoxy]fluoren-9-one has a molecular weight of 410.56 g/mol, XLogP of 4.43, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(butylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 71698868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).