2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione

C15H18N2O2 — CID 103430945

IUPAC2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CCNC1CC1)C2=O
InChIInChI=1S/C15H18N2O2/c1-9-3-4-10(2)13-12(9)14(18)17(15(13)19)8-7-16-11-5-6-11/h3-4,11,16H,5-8H2,1-2H3
InChIKeyGYFCXKLWPZGJFF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione

2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430945) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione
PubChem CID103430945
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CCNC1CC1)C2=O
InChIInChI=1S/C15H18N2O2/c1-9-3-4-10(2)13-12(9)14(18)17(15(13)19)8-7-16-11-5-6-11/h3-4,11,16H,5-8H2,1-2H3
InChIKeyGYFCXKLWPZGJFF-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Isopropylphthalimide
CID 67535
(R)-Thalidomide
CID 75792
L 693593
CID 65001
2-(3-Methoxypropyl)-3-Oxo-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 20854918
Cc-11006
CID 10155135
2-Phthalimidoacetamide
CID 21053
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CID 95380
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
3-Oxo-2-Piperidin-4-Yl-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 24937836

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione (CID 103430945) is 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(CCNC1CC1)C2=O.
What is the InChIKey of 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione?
The InChIKey is GYFCXKLWPZGJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-3-4-10(2)13-12(9)14(18)17(15(13)19)8-7-16-11-5-6-11/h3-4,11,16H,5-8H2,1-2H3.
What are the key properties of 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione?
2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).