2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile

C17H24N4 — CID 63778960

IUPAC2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile
SMILESCN1CCN(CCC(C)(C#N)NC2CC2)c2ccccc21
InChIInChI=1S/C17H24N4/c1-17(13-18,19-14-7-8-14)9-10-21-12-11-20(2)15-5-3-4-6-16(15)21/h3-6,14,19H,7-12H2,1-2H3
InChIKeyBJYLFMJWNJFLRU-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.37
Rot. Bonds5

About 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile

2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile (PubChem CID 63778960) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile
PubChem CID63778960
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile
SMILESCN1CCN(CCC(C)(C#N)NC2CC2)c2ccccc21
InChIInChI=1S/C17H24N4/c1-17(13-18,19-14-7-8-14)9-10-21-12-11-20(2)15-5-3-4-6-16(15)21/h3-6,14,19H,7-12H2,1-2H3
InChIKeyBJYLFMJWNJFLRU-UHFFFAOYSA-N
XLogP2.37
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile (CID 63778960) is 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile is CN1CCN(CCC(C)(C#N)NC2CC2)c2ccccc21.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile?
The InChIKey is BJYLFMJWNJFLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(13-18,19-14-7-8-14)9-10-21-12-11-20(2)15-5-3-4-6-16(15)21/h3-6,14,19H,7-12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile?
2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile has a molecular weight of 284.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile is sourced from PubChem (CID 63778960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).