N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine

C21H25NO3 — CID 6426424

IUPACN-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine
SMILESCCCCOc1ccc2c(c1)C(=NO)c1cc(OCCCC)ccc1-2
InChIInChI=1S/C21H25NO3/c1-3-5-11-24-15-7-9-17-18-10-8-16(25-12-6-4-2)14-20(18)21(22-23)19(17)13-15/h7-10,13-14,23H,3-6,11-12H2,1-2H3
InChIKeyCRBSRYMZHQAFMK-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.25
Rot. Bonds8

About N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine

N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine (PubChem CID 6426424) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine
PubChem CID6426424
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine
SMILESCCCCOc1ccc2c(c1)C(=NO)c1cc(OCCCC)ccc1-2
InChIInChI=1S/C21H25NO3/c1-3-5-11-24-15-7-9-17-18-10-8-16(25-12-6-4-2)14-20(18)21(22-23)19(17)13-15/h7-10,13-14,23H,3-6,11-12H2,1-2H3
InChIKeyCRBSRYMZHQAFMK-UHFFFAOYSA-N
XLogP5.25
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine?
The IUPAC name of N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine (CID 6426424) is N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine?
The canonical SMILES for N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine is CCCCOc1ccc2c(c1)C(=NO)c1cc(OCCCC)ccc1-2.
What is the InChIKey of N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine?
The InChIKey is CRBSRYMZHQAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-5-11-24-15-7-9-17-18-10-8-16(25-12-6-4-2)14-20(18)21(22-23)19(17)13-15/h7-10,13-14,23H,3-6,11-12H2,1-2H3.
What are the key properties of N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine?
N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine has a molecular weight of 339.44 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dibutoxyfluoren-9-ylidene)hydroxylamine is sourced from PubChem (CID 6426424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).