1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine

C17H19NO — CID 88657070

IUPAC1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine
SMILESC=CCOCC/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-3-12-19-13-11-18-14(2)16-10-6-8-15-7-4-5-9-17(15)16/h3-10H,1,11-13H2,2H3/b18-14+
InChIKeyANDZLQSNINFWRN-NBVRZTHBSA-N
MW253.34 g/mol
LogP3.85
Rot. Bonds6

About 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine

1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine (PubChem CID 88657070) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine
PubChem CID88657070
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine
SMILESC=CCOCC/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-3-12-19-13-11-18-14(2)16-10-6-8-15-7-4-5-9-17(15)16/h3-10H,1,11-13H2,2H3/b18-14+
InChIKeyANDZLQSNINFWRN-NBVRZTHBSA-N
XLogP3.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine?
The IUPAC name of 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine (CID 88657070) is 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine.
What is the SMILES notation for 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine?
The canonical SMILES for 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine is C=CCOCC/N=C(\C)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine?
The InChIKey is ANDZLQSNINFWRN-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-12-19-13-11-18-14(2)16-10-6-8-15-7-4-5-9-17(15)16/h3-10H,1,11-13H2,2H3/b18-14+.
What are the key properties of 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine?
1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine has a molecular weight of 253.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine is sourced from PubChem (CID 88657070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).