3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile

C15H21N3O — CID 114327241

IUPAC3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)Cc1cccc2c1NCC2
InChIInChI=1S/C15H21N3O/c1-19-11-10-18(9-3-7-16)12-14-5-2-4-13-6-8-17-15(13)14/h2,4-5,17H,3,6,8-12H2,1H3
InChIKeyPCHFBYXRSTYZJG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds7

About 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile

3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 114327241) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile
PubChem CID114327241
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)Cc1cccc2c1NCC2
InChIInChI=1S/C15H21N3O/c1-19-11-10-18(9-3-7-16)12-14-5-2-4-13-6-8-17-15(13)14/h2,4-5,17H,3,6,8-12H2,1H3
InChIKeyPCHFBYXRSTYZJG-UHFFFAOYSA-N
XLogP2.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile 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 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile (CID 114327241) is 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)Cc1cccc2c1NCC2.
What is the InChIKey of 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is PCHFBYXRSTYZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-11-10-18(9-3-7-16)12-14-5-2-4-13-6-8-17-15(13)14/h2,4-5,17H,3,6,8-12H2,1H3.
What are the key properties of 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile?
3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 259.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 114327241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).