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

C18H21NO3 — CID 87476788

IUPAC(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine
SMILESC(=N/OCCOC1CCCCO1)\c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-2-6-17-13-15(8-9-16(17)5-1)14-19-22-12-11-21-18-7-3-4-10-20-18/h1-2,5-6,8-9,13-14,18H,3-4,7,10-12H2/b19-14+
InChIKeyJHWOFTVAGWYWNB-XMHGGMMESA-N
MW299.37 g/mol
LogP3.73
Rot. Bonds6

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

(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine (PubChem CID 87476788) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine
PubChem CID87476788
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine
SMILESC(=N/OCCOC1CCCCO1)\c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-2-6-17-13-15(8-9-16(17)5-1)14-19-22-12-11-21-18-7-3-4-10-20-18/h1-2,5-6,8-9,13-14,18H,3-4,7,10-12H2/b19-14+
InChIKeyJHWOFTVAGWYWNB-XMHGGMMESA-N
XLogP3.73
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.73
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]methanimine?
The IUPAC name of (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine (CID 87476788) is (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine.
What is the SMILES notation for (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine?
The canonical SMILES for (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine is C(=N/OCCOC1CCCCO1)\c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine?
The InChIKey is JHWOFTVAGWYWNB-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-6-17-13-15(8-9-16(17)5-1)14-19-22-12-11-21-18-7-3-4-10-20-18/h1-2,5-6,8-9,13-14,18H,3-4,7,10-12H2/b19-14+.
What are the key properties of (E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine?
(E)-1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]methanimine has a molecular weight of 299.37 g/mol, XLogP of 3.73, 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]methanimine is sourced from PubChem (CID 87476788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).