2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine

C19H23NO3 — CID 87589119

IUPAC2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
SMILESC(Cc1ccc2ccccc2c1)=NOCCOC1CCCCO1
InChIInChI=1S/C19H23NO3/c1-2-6-18-15-16(8-9-17(18)5-1)10-11-20-23-14-13-22-19-7-3-4-12-21-19/h1-2,5-6,8-9,11,15,19H,3-4,7,10,12-14H2
InChIKeyCHTRDFUBDLVXDN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.93
Rot. Bonds7

About 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine

2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine (PubChem CID 87589119) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
PubChem CID87589119
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
SMILESC(Cc1ccc2ccccc2c1)=NOCCOC1CCCCO1
InChIInChI=1S/C19H23NO3/c1-2-6-18-15-16(8-9-17(18)5-1)10-11-20-23-14-13-22-19-7-3-4-12-21-19/h1-2,5-6,8-9,11,15,19H,3-4,7,10,12-14H2
InChIKeyCHTRDFUBDLVXDN-UHFFFAOYSA-N
XLogP3.93
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
The IUPAC name of 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine (CID 87589119) is 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine.
What is the SMILES notation for 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
The canonical SMILES for 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine is C(Cc1ccc2ccccc2c1)=NOCCOC1CCCCO1.
What is the InChIKey of 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
The InChIKey is CHTRDFUBDLVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-6-18-15-16(8-9-17(18)5-1)10-11-20-23-14-13-22-19-7-3-4-12-21-19/h1-2,5-6,8-9,11,15,19H,3-4,7,10,12-14H2.
What are the key properties of 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine has a molecular weight of 313.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine is sourced from PubChem (CID 87589119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).