(E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal

C17H19NO — CID 162413958

IUPAC(E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal
SMILESCCN(CC)/C(=C/C=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(12-13-19)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,3-4H2,1-2H3/b17-12+
InChIKeyGCTWFULAQJFQTR-SFQUDFHCSA-N
MW253.35 g/mol
LogP3.72
Rot. Bonds5

About (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal

(E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal (PubChem CID 162413958) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal.

Molecular Properties

Compound Name(E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal
PubChem CID162413958
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal
SMILESCCN(CC)/C(=C/C=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(12-13-19)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,3-4H2,1-2H3/b17-12+
InChIKeyGCTWFULAQJFQTR-SFQUDFHCSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal?
The IUPAC name of (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal (CID 162413958) is (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal.
What is the SMILES notation for (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal?
The canonical SMILES for (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal is CCN(CC)/C(=C/C=O)c1cccc2ccccc12.
What is the InChIKey of (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal?
The InChIKey is GCTWFULAQJFQTR-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-18(4-2)17(12-13-19)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,3-4H2,1-2H3/b17-12+.
What are the key properties of (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal?
(E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal has a molecular weight of 253.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(diethylamino)-3-naphthalen-1-ylprop-2-enal is sourced from PubChem (CID 162413958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).