2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione

C17H18N2O2 — CID 62651428

IUPAC2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione
SMILESCCC(CCN)N1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C17H18N2O2/c1-2-12(9-10-18)19-16(20)13-7-3-5-11-6-4-8-14(15(11)13)17(19)21/h3-8,12H,2,9-10,18H2,1H3
InChIKeyPGVADOPTIGNZML-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds4

About 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione

2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 62651428) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID62651428
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione
SMILESCCC(CCN)N1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C17H18N2O2/c1-2-12(9-10-18)19-16(20)13-7-3-5-11-6-4-8-14(15(11)13)17(19)21/h3-8,12H,2,9-10,18H2,1H3
InChIKeyPGVADOPTIGNZML-UHFFFAOYSA-N
XLogP2.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione (CID 62651428) is 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione is CCC(CCN)N1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is PGVADOPTIGNZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-12(9-10-18)19-16(20)13-7-3-5-11-6-4-8-14(15(11)13)17(19)21/h3-8,12H,2,9-10,18H2,1H3.
What are the key properties of 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione?
2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 282.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 62651428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).