6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one

C15H21N3O — CID 63957228

IUPAC6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCN(CC1CC1)c1ccc2c(c1)NC(=O)C2NC
InChIInChI=1S/C15H21N3O/c1-3-18(9-10-4-5-10)11-6-7-12-13(8-11)17-15(19)14(12)16-2/h6-8,10,14,16H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyFLIHVXRHNJIZGP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.14
Rot. Bonds5

About 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one

6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 63957228) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID63957228
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCN(CC1CC1)c1ccc2c(c1)NC(=O)C2NC
InChIInChI=1S/C15H21N3O/c1-3-18(9-10-4-5-10)11-6-7-12-13(8-11)17-15(19)14(12)16-2/h6-8,10,14,16H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyFLIHVXRHNJIZGP-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one 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 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (CID 63957228) is 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is CCN(CC1CC1)c1ccc2c(c1)NC(=O)C2NC.
What is the InChIKey of 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is FLIHVXRHNJIZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18(9-10-4-5-10)11-6-7-12-13(8-11)17-15(19)14(12)16-2/h6-8,10,14,16H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63957228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).