5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione

C14H19N3O2 — CID 62640881

IUPAC5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
SMILESCC(C)N(C)CCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)16(3)6-7-17-13(18)11-5-4-10(15)8-12(11)14(17)19/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyRGOAJVRHAJKQRA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds4

About 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione

5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione (PubChem CID 62640881) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
PubChem CID62640881
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
SMILESCC(C)N(C)CCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)16(3)6-7-17-13(18)11-5-4-10(15)8-12(11)14(17)19/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyRGOAJVRHAJKQRA-UHFFFAOYSA-N
XLogP1.21
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
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-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione (CID 62640881) is 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione is CC(C)N(C)CCN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is RGOAJVRHAJKQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)16(3)6-7-17-13(18)11-5-4-10(15)8-12(11)14(17)19/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione?
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 261.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 62640881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).