5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile

C16H23N3O — CID 144676189

IUPAC5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile
SMILESCCOCCCN1CCc2cc(CCN)cc(C#N)c21
InChIInChI=1S/C16H23N3O/c1-2-20-9-3-7-19-8-5-14-10-13(4-6-17)11-15(12-18)16(14)19/h10-11H,2-9,17H2,1H3
InChIKeyNXYGMRYCGZPSHP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.85
Rot. Bonds7

About 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile

5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile (PubChem CID 144676189) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile
PubChem CID144676189
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile
SMILESCCOCCCN1CCc2cc(CCN)cc(C#N)c21
InChIInChI=1S/C16H23N3O/c1-2-20-9-3-7-19-8-5-14-10-13(4-6-17)11-15(12-18)16(14)19/h10-11H,2-9,17H2,1H3
InChIKeyNXYGMRYCGZPSHP-UHFFFAOYSA-N
XLogP1.85
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(tert-butylsulfanylamino)ethyl]-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile
CID 144676187
ethane;1-(3-ethoxypropyl)-5-(2-oxopropyl)-2,3-dihydroindole-7-carbonitrile
CID 144676200
ethane;5-(2-oxopropyl)-1-(3-propoxypropyl)-2,3-dihydroindole-7-carbonitrile
CID 144676201
1-(3-chloropropyl)-5-(2-oxopropyl)-2,3-dihydroindole-7-carbonitrile
CID 86273439
3-[7-cyano-5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-2,3-dihydroindol-1-yl]propyl benzoate
CID 145309157
3-[5-[(2S)-2-(benzylamino)propyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate
CID 71609511
3-[7-cyano-5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate
CID 18360864
5-bromo-1-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]-2,3-dihydroindole-7-carbonitrile
CID 144941433
5-(2-nitroprop-1-enyl)-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile
CID 69093247
3-[7-cyano-5-[(2R)-2-[2-(2-hydroxyphenoxy)ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate
CID 70832900
5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile
CID 87299091
1-(3-hydroxypropyl)-5-[3-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carbonitrile
CID 152746372

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile?
The IUPAC name of 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile (CID 144676189) is 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile.
What is the SMILES notation for 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile?
The canonical SMILES for 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile is CCOCCCN1CCc2cc(CCN)cc(C#N)c21.
What is the InChIKey of 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile?
The InChIKey is NXYGMRYCGZPSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-20-9-3-7-19-8-5-14-10-13(4-6-17)11-15(12-18)16(14)19/h10-11H,2-9,17H2,1H3.
What are the key properties of 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile?
5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(3-ethoxypropyl)-2,3-dihydroindole-7-carbonitrile is sourced from PubChem (CID 144676189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).