6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione

C15H21N3O2 — CID 81309496

IUPAC6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione
SMILESCN(C)CCCN(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H21N3O2/c1-16(2)8-5-9-17(3)11-6-7-12-13(10-11)18(4)15(20)14(12)19/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFSIVLGAYMSYLQF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.23
Rot. Bonds5

About 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione

6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione (PubChem CID 81309496) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione
PubChem CID81309496
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione
SMILESCN(C)CCCN(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H21N3O2/c1-16(2)8-5-9-17(3)11-6-7-12-13(10-11)18(4)15(20)14(12)19/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFSIVLGAYMSYLQF-UHFFFAOYSA-N
XLogP1.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione (CID 81309496) is 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione is CN(C)CCCN(C)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione?
The InChIKey is FSIVLGAYMSYLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16(2)8-5-9-17(3)11-6-7-12-13(10-11)18(4)15(20)14(12)19/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione?
6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione has a molecular weight of 275.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione is sourced from PubChem (CID 81309496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).