4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione

C14H18N2O2 — CID 61388378

IUPAC4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione
SMILESCNCCCN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C14H18N2O2/c1-9-7-10(2)12-11(8-9)16(6-4-5-15-3)14(18)13(12)17/h7-8,15H,4-6H2,1-3H3
InChIKeySHPZNSVIBKAQJU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.44
Rot. Bonds4

About 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione

4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione (PubChem CID 61388378) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione
PubChem CID61388378
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione
SMILESCNCCCN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C14H18N2O2/c1-9-7-10(2)12-11(8-9)16(6-4-5-15-3)14(18)13(12)17/h7-8,15H,4-6H2,1-3H3
InChIKeySHPZNSVIBKAQJU-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione?
The IUPAC name of 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione (CID 61388378) is 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione.
What is the SMILES notation for 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione?
The canonical SMILES for 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione is CNCCCN1C(=O)C(=O)c2c(C)cc(C)cc21.
What is the InChIKey of 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione?
The InChIKey is SHPZNSVIBKAQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-7-10(2)12-11(8-9)16(6-4-5-15-3)14(18)13(12)17/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione?
4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione has a molecular weight of 246.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione is sourced from PubChem (CID 61388378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).