2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C15H24N2O2 — CID 2859057

IUPAC2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESCC1=CC(C)C2C(=O)N(CCCN(C)C)C(=O)C2C1
InChIInChI=1S/C15H24N2O2/c1-10-8-11(2)13-12(9-10)14(18)17(15(13)19)7-5-6-16(3)4/h8,11-13H,5-7,9H2,1-4H3
InChIKeyOLVIZFKZLFJCGX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.53
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (PubChem CID 2859057) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
PubChem CID2859057
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESCC1=CC(C)C2C(=O)N(CCCN(C)C)C(=O)C2C1
InChIInChI=1S/C15H24N2O2/c1-10-8-11(2)13-12(9-10)14(18)17(15(13)19)7-5-6-16(3)4/h8,11-13H,5-7,9H2,1-4H3
InChIKeyOLVIZFKZLFJCGX-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CID 2859057) is 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is CC1=CC(C)C2C(=O)N(CCCN(C)C)C(=O)C2C1.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The InChIKey is OLVIZFKZLFJCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-8-11(2)13-12(9-10)14(18)17(15(13)19)7-5-6-16(3)4/h8,11-13H,5-7,9H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 264.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 2859057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).