2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile

C18H25N3 — CID 106802800

IUPAC2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCN1CCc2ccccc21)NC1CC1
InChIInChI=1S/C18H25N3/c1-2-18(14-19,20-16-8-9-16)11-5-12-21-13-10-15-6-3-4-7-17(15)21/h3-4,6-7,16,20H,2,5,8-13H2,1H3
InChIKeyVRAOFMUZNQYOAY-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.25
Rot. Bonds7

About 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile

2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile (PubChem CID 106802800) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
PubChem CID106802800
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCN1CCc2ccccc21)NC1CC1
InChIInChI=1S/C18H25N3/c1-2-18(14-19,20-16-8-9-16)11-5-12-21-13-10-15-6-3-4-7-17(15)21/h3-4,6-7,16,20H,2,5,8-13H2,1H3
InChIKeyVRAOFMUZNQYOAY-UHFFFAOYSA-N
XLogP3.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile (CID 106802800) is 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile is CCC(C#N)(CCCN1CCc2ccccc21)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile?
The InChIKey is VRAOFMUZNQYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-18(14-19,20-16-8-9-16)11-5-12-21-13-10-15-6-3-4-7-17(15)21/h3-4,6-7,16,20H,2,5,8-13H2,1H3.
What are the key properties of 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile?
2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile has a molecular weight of 283.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile is sourced from PubChem (CID 106802800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).