2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C15H26N2O2 — CID 177117724

IUPAC2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCN(C)CCCCCN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C15H26N2O2/c1-16(2)10-6-3-7-11-17-14(18)12-8-4-5-9-13(12)15(17)19/h12-13H,3-11H2,1-2H3
InChIKeyHRBNNKAMQYJOPB-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.89
Rot. Bonds6

About 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 177117724) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID177117724
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCN(C)CCCCCN1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C15H26N2O2/c1-16(2)10-6-3-7-11-17-14(18)12-8-4-5-9-13(12)15(17)19/h12-13H,3-11H2,1-2H3
InChIKeyHRBNNKAMQYJOPB-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 177117724) is 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CN(C)CCCCCN1C(=O)C2CCCCC2C1=O.
What is the InChIKey of 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is HRBNNKAMQYJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16(2)10-6-3-7-11-17-14(18)12-8-4-5-9-13(12)15(17)19/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 266.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 177117724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).