N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine

C25H35N3O3 — CID 559754

IUPACN-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine
SMILESCCN(CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C25H35N3O3/c1-5-27(6-2)13-15-30-19-9-11-21-22-12-10-20(31-16-14-28(7-3)8-4)18-24(22)25(26-29)23(21)17-19/h9-12,17-18,29H,5-8,13-16H2,1-4H3
InChIKeyZIOVESONCNMSKQ-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.33
Rot. Bonds12

About N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine

N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine (PubChem CID 559754) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine
PubChem CID559754
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine
SMILESCCN(CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C25H35N3O3/c1-5-27(6-2)13-15-30-19-9-11-21-22-12-10-20(31-16-14-28(7-3)8-4)18-24(22)25(26-29)23(21)17-19/h9-12,17-18,29H,5-8,13-16H2,1-4H3
InChIKeyZIOVESONCNMSKQ-UHFFFAOYSA-N
XLogP4.33
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine?
The IUPAC name of N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine (CID 559754) is N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine?
The canonical SMILES for N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine is CCN(CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCCN(CC)CC)ccc1-2.
What is the InChIKey of N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine?
The InChIKey is ZIOVESONCNMSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-5-27(6-2)13-15-30-19-9-11-21-22-12-10-20(31-16-14-28(7-3)8-4)18-24(22)25(26-29)23(21)17-19/h9-12,17-18,29H,5-8,13-16H2,1-4H3.
What are the key properties of N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine?
N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine has a molecular weight of 425.57 g/mol, XLogP of 4.33, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine is sourced from PubChem (CID 559754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).