2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile

C17H26N4 — CID 63778772

IUPAC2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCN(C)c2ccccc21
InChIInChI=1S/C17H26N4/c1-4-19-17(2,14-18)10-7-11-21-13-12-20(3)15-8-5-6-9-16(15)21/h5-6,8-9,19H,4,7,10-13H2,1-3H3
InChIKeyLRBWBILNUZYIPY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.61
Rot. Bonds6

About 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile

2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile (PubChem CID 63778772) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile
PubChem CID63778772
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCN(C)c2ccccc21
InChIInChI=1S/C17H26N4/c1-4-19-17(2,14-18)10-7-11-21-13-12-20(3)15-8-5-6-9-16(15)21/h5-6,8-9,19H,4,7,10-13H2,1-3H3
InChIKeyLRBWBILNUZYIPY-UHFFFAOYSA-N
XLogP2.61
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile (CID 63778772) is 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile is CCNC(C)(C#N)CCCN1CCN(C)c2ccccc21.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile?
The InChIKey is LRBWBILNUZYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-19-17(2,14-18)10-7-11-21-13-12-20(3)15-8-5-6-9-16(15)21/h5-6,8-9,19H,4,7,10-13H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile?
2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile has a molecular weight of 286.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanenitrile is sourced from PubChem (CID 63778772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).