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

C20H28N4O2 — CID 11078807

IUPAC5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccc(N)cc2C1=O)CC1=CC(C)(C)NC1(C)C
InChIInChI=1S/C20H28N4O2/c1-19(2)11-13(20(3,4)22-19)12-23(5)8-9-24-17(25)15-7-6-14(21)10-16(15)18(24)26/h6-7,10-11,22H,8-9,12,21H2,1-5H3
InChIKeyQEVXCJDKNIFBKP-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.88
Rot. Bonds5

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

5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione (PubChem CID 11078807) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione
PubChem CID11078807
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccc(N)cc2C1=O)CC1=CC(C)(C)NC1(C)C
InChIInChI=1S/C20H28N4O2/c1-19(2)11-13(20(3,4)22-19)12-23(5)8-9-24-17(25)15-7-6-14(21)10-16(15)18(24)26/h6-7,10-11,22H,8-9,12,21H2,1-5H3
InChIKeyQEVXCJDKNIFBKP-UHFFFAOYSA-N
XLogP1.88
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione (CID 11078807) is 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione is CN(CCN1C(=O)c2ccc(N)cc2C1=O)CC1=CC(C)(C)NC1(C)C.
What is the InChIKey of 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is QEVXCJDKNIFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-19(2)11-13(20(3,4)22-19)12-23(5)8-9-24-17(25)15-7-6-14(21)10-16(15)18(24)26/h6-7,10-11,22H,8-9,12,21H2,1-5H3.
What are the key properties of 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione?
5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 356.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[methyl-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 11078807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).