ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine

C24H33NO2 — CID 143822098

IUPACethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine
SMILESCC.CC.COCCC/C=C/c1ccc2c(c1)/C(=N\OC)c1ccccc1-2
InChIInChI=1S/C20H21NO2.2C2H6/c1-22-13-7-3-4-8-15-11-12-17-16-9-5-6-10-18(16)20(21-23-2)19(17)14-15;2*1-2/h4-6,8-12,14H,3,7,13H2,1-2H3;2*1-2H3/b8-4+,21-20-;;
InChIKeyYEKABRMVAGYZBB-WMIBRDTESA-N
MW367.53 g/mol
LogP6.56
Rot. Bonds6

About ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine

ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine (PubChem CID 143822098) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine.

Molecular Properties

Compound Nameethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine
PubChem CID143822098
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Nameethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine
SMILESCC.CC.COCCC/C=C/c1ccc2c(c1)/C(=N\OC)c1ccccc1-2
InChIInChI=1S/C20H21NO2.2C2H6/c1-22-13-7-3-4-8-15-11-12-17-16-9-5-6-10-18(16)20(21-23-2)19(17)14-15;2*1-2/h4-6,8-12,14H,3,7,13H2,1-2H3;2*1-2H3/b8-4+,21-20-;;
InChIKeyYEKABRMVAGYZBB-WMIBRDTESA-N
XLogP6.56
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_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 ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine?
The IUPAC name of ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine (CID 143822098) is ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine.
What is the SMILES notation for ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine?
The canonical SMILES for ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine is CC.CC.COCCC/C=C/c1ccc2c(c1)/C(=N\OC)c1ccccc1-2.
What is the InChIKey of ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine?
The InChIKey is YEKABRMVAGYZBB-WMIBRDTESA-N. The full InChI is InChI=1S/C20H21NO2.2C2H6/c1-22-13-7-3-4-8-15-11-12-17-16-9-5-6-10-18(16)20(21-23-2)19(17)14-15;2*1-2/h4-6,8-12,14H,3,7,13H2,1-2H3;2*1-2H3/b8-4+,21-20-;;.
What are the key properties of ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine?
ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine has a molecular weight of 367.53 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methoxy-2-[(E)-5-methoxypent-1-enyl]fluoren-9-imine is sourced from PubChem (CID 143822098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).