5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione

C15H21N3O2 — CID 28773057

IUPAC5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione
SMILESCN(C)CC(C)(C)CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,8-17(3)4)9-18-13(19)11-6-5-10(16)7-12(11)14(18)20/h5-7H,8-9,16H2,1-4H3
InChIKeyJOXYLONGEAXFHF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.45
Rot. Bonds4

About 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione

5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione (PubChem CID 28773057) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione
PubChem CID28773057
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione
SMILESCN(C)CC(C)(C)CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,8-17(3)4)9-18-13(19)11-6-5-10(16)7-12(11)14(18)20/h5-7H,8-9,16H2,1-4H3
InChIKeyJOXYLONGEAXFHF-UHFFFAOYSA-N
XLogP1.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione (CID 28773057) is 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione is CN(C)CC(C)(C)CN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione?
The InChIKey is JOXYLONGEAXFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,8-17(3)4)9-18-13(19)11-6-5-10(16)7-12(11)14(18)20/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione?
5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione has a molecular weight of 275.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 28773057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).