(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine

C19H23NO3 — CID 87478802

IUPAC(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
SMILESC/C(=N\OCCOC1CCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO3/c1-15(17-10-9-16-6-2-3-7-18(16)14-17)20-23-13-12-22-19-8-4-5-11-21-19/h2-3,6-7,9-10,14,19H,4-5,8,11-13H2,1H3/b20-15+
InChIKeyRHSWLRKIJQCFQB-HMMYKYKNSA-N
MW313.40 g/mol
LogP4.12
Rot. Bonds6

About (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine

(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine (PubChem CID 87478802) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
PubChem CID87478802
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
SMILESC/C(=N\OCCOC1CCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO3/c1-15(17-10-9-16-6-2-3-7-18(16)14-17)20-23-13-12-22-19-8-4-5-11-21-19/h2-3,6-7,9-10,14,19H,4-5,8,11-13H2,1H3/b20-15+
InChIKeyRHSWLRKIJQCFQB-HMMYKYKNSA-N
XLogP4.12
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.12
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 (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
The IUPAC name of (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine (CID 87478802) is (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine.
What is the SMILES notation for (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
The canonical SMILES for (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine is C/C(=N\OCCOC1CCCCO1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
The InChIKey is RHSWLRKIJQCFQB-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(17-10-9-16-6-2-3-7-18(16)14-17)20-23-13-12-22-19-8-4-5-11-21-19/h2-3,6-7,9-10,14,19H,4-5,8,11-13H2,1H3/b20-15+.
What are the key properties of (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine?
(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine has a molecular weight of 313.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine is sourced from PubChem (CID 87478802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).