2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile

C15H20N4 — CID 63906454

IUPAC2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile
SMILESCN1CCN(CC(N)(C#N)C2CC2)c2ccccc21
InChIInChI=1S/C15H20N4/c1-18-8-9-19(14-5-3-2-4-13(14)18)11-15(17,10-16)12-6-7-12/h2-5,12H,6-9,11,17H2,1H3
InChIKeyNYOFKMGBPIDYEO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile

2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile (PubChem CID 63906454) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile
PubChem CID63906454
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile
SMILESCN1CCN(CC(N)(C#N)C2CC2)c2ccccc21
InChIInChI=1S/C15H20N4/c1-18-8-9-19(14-5-3-2-4-13(14)18)11-15(17,10-16)12-6-7-12/h2-5,12H,6-9,11,17H2,1H3
InChIKeyNYOFKMGBPIDYEO-UHFFFAOYSA-N
XLogP1.57
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile (CID 63906454) is 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile is CN1CCN(CC(N)(C#N)C2CC2)c2ccccc21.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile?
The InChIKey is NYOFKMGBPIDYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-8-9-19(14-5-3-2-4-13(14)18)11-15(17,10-16)12-6-7-12/h2-5,12H,6-9,11,17H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile?
2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile has a molecular weight of 256.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile is sourced from PubChem (CID 63906454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).