5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine

C19H17N — CID 70602351

IUPAC5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine
SMILESNC1CC2=CCC(=Cc3ccccc3)c3cccc1c32
InChIInChI=1S/C19H17N/c20-18-12-15-10-9-14(11-13-5-2-1-3-6-13)16-7-4-8-17(18)19(15)16/h1-8,10-11,18H,9,12,20H2
InChIKeyNGXKYGBADKAIBB-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.42
Rot. Bonds1

About 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine

5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine (PubChem CID 70602351) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine.

Molecular Properties

Compound Name5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine
PubChem CID70602351
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine
SMILESNC1CC2=CCC(=Cc3ccccc3)c3cccc1c32
InChIInChI=1S/C19H17N/c20-18-12-15-10-9-14(11-13-5-2-1-3-6-13)16-7-4-8-17(18)19(15)16/h1-8,10-11,18H,9,12,20H2
InChIKeyNGXKYGBADKAIBB-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine?
The IUPAC name of 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine (CID 70602351) is 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine.
What is the SMILES notation for 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine?
The canonical SMILES for 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine is NC1CC2=CCC(=Cc3ccccc3)c3cccc1c32.
What is the InChIKey of 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine?
The InChIKey is NGXKYGBADKAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c20-18-12-15-10-9-14(11-13-5-2-1-3-6-13)16-7-4-8-17(18)19(15)16/h1-8,10-11,18H,9,12,20H2.
What are the key properties of 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine?
5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine has a molecular weight of 259.35 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-2,4-dihydro-1H-acenaphthylen-1-amine is sourced from PubChem (CID 70602351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).