2-(1-aminohexan-2-yl)isoindole-1,3-dione

C14H18N2O2 — CID 80703930

IUPAC2-(1-aminohexan-2-yl)isoindole-1,3-dione
SMILESCCCCC(CN)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O2/c1-2-3-6-10(9-15)16-13(17)11-7-4-5-8-12(11)14(16)18/h4-5,7-8,10H,2-3,6,9,15H2,1H3
InChIKeyUYDFVOWWESZFEU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.80
Rot. Bonds5

About 2-(1-aminohexan-2-yl)isoindole-1,3-dione

2-(1-aminohexan-2-yl)isoindole-1,3-dione (PubChem CID 80703930) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-aminohexan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-aminohexan-2-yl)isoindole-1,3-dione
PubChem CID80703930
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1-aminohexan-2-yl)isoindole-1,3-dione
SMILESCCCCC(CN)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O2/c1-2-3-6-10(9-15)16-13(17)11-7-4-5-8-12(11)14(16)18/h4-5,7-8,10H,2-3,6,9,15H2,1H3
InChIKeyUYDFVOWWESZFEU-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.80
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-aminohexan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-aminohexan-2-yl)isoindole-1,3-dione (CID 80703930) is 2-(1-aminohexan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-aminohexan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-aminohexan-2-yl)isoindole-1,3-dione is CCCCC(CN)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-aminohexan-2-yl)isoindole-1,3-dione?
The InChIKey is UYDFVOWWESZFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-6-10(9-15)16-13(17)11-7-4-5-8-12(11)14(16)18/h4-5,7-8,10H,2-3,6,9,15H2,1H3.
What are the key properties of 2-(1-aminohexan-2-yl)isoindole-1,3-dione?
2-(1-aminohexan-2-yl)isoindole-1,3-dione has a molecular weight of 246.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminohexan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 80703930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).