2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C19H34N2O2Si — CID 67080544

IUPAC2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC[Si]1(CC)CCCCN1CCCN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C19H34N2O2Si/c1-3-24(4-2)15-8-7-12-20(24)13-9-14-21-18(22)16-10-5-6-11-17(16)19(21)23/h16-17H,3-15H2,1-2H3
InChIKeyFBMYYBKTLNKAMM-UHFFFAOYSA-N
MW350.58 g/mol
LogP3.63
Rot. Bonds6

About 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 67080544) has the molecular formula C19H34N2O2Si and a molecular weight of 350.58 g/mol. Its IUPAC name is 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID67080544
Molecular FormulaC19H34N2O2Si
Molecular Weight350.58 g/mol
Exact Mass350.24
IUPAC Name2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC[Si]1(CC)CCCCN1CCCN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C19H34N2O2Si/c1-3-24(4-2)15-8-7-12-20(24)13-9-14-21-18(22)16-10-5-6-11-17(16)19(21)23/h16-17H,3-15H2,1-2H3
InChIKeyFBMYYBKTLNKAMM-UHFFFAOYSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 67080544) is 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CC[Si]1(CC)CCCCN1CCCN1C(=O)C2CCCCC2C1=O.
What is the InChIKey of 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is FBMYYBKTLNKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2Si/c1-3-24(4-2)15-8-7-12-20(24)13-9-14-21-18(22)16-10-5-6-11-17(16)19(21)23/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 350.58 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-diethylazasilinan-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 67080544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).