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

C15H19N3O2 — CID 105418763

IUPAC5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione
SMILESCN(C)C1(CN2C(=O)c3ccc(N)cc3C2=O)CCC1
InChIInChI=1S/C15H19N3O2/c1-17(2)15(6-3-7-15)9-18-13(19)11-5-4-10(16)8-12(11)14(18)20/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyNWJKIHUQJAOPFR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds3

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

5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione (PubChem CID 105418763) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione
PubChem CID105418763
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione
SMILESCN(C)C1(CN2C(=O)c3ccc(N)cc3C2=O)CCC1
InChIInChI=1S/C15H19N3O2/c1-17(2)15(6-3-7-15)9-18-13(19)11-5-4-10(16)8-12(11)14(18)20/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyNWJKIHUQJAOPFR-UHFFFAOYSA-N
XLogP1.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
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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Related Compounds

5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
CID 21307299
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
CID 62640881
5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione
CID 28773057
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
5-amino-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 804347
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione
CID 115281563
5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 106019319
5-amino-2-decylisoindole-1,3-dione
CID 132514130
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-(3-methylpentan-3-yl)isoindole-1,3-dione
CID 114174283
5-amino-2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 43209481
5-amino-2-[2-(1-methylpyrazol-4-yl)ethyl]isoindole-1,3-dione
CID 80689338

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione (CID 105418763) is 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione is CN(C)C1(CN2C(=O)c3ccc(N)cc3C2=O)CCC1.
What is the InChIKey of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione?
The InChIKey is NWJKIHUQJAOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17(2)15(6-3-7-15)9-18-13(19)11-5-4-10(16)8-12(11)14(18)20/h4-5,8H,3,6-7,9,16H2,1-2H3.
What are the key properties of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione?
5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione has a molecular weight of 273.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 105418763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).