6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile

C17H32N4 — CID 79918629

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN1CCN2CCCCC2C1
InChIInChI=1S/C17H32N4/c1-3-19-17(2,15-18)9-5-7-10-20-12-13-21-11-6-4-8-16(21)14-20/h16,19H,3-14H2,1-2H3
InChIKeyLIXSHBAUYXNSDX-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.22
Rot. Bonds7

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile (PubChem CID 79918629) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile
PubChem CID79918629
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN1CCN2CCCCC2C1
InChIInChI=1S/C17H32N4/c1-3-19-17(2,15-18)9-5-7-10-20-12-13-21-11-6-4-8-16(21)14-20/h16,19H,3-14H2,1-2H3
InChIKeyLIXSHBAUYXNSDX-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.22
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

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanenitrile
CID 79943625
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 79942985
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 63150606
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63150692
2-(ethylamino)-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 63171363
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanamide
CID 79917010
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylhexanenitrile
CID 79943540
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 79935074
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803583
2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
CID 113418574

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile (CID 79918629) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile is CCNC(C)(C#N)CCCCN1CCN2CCCCC2C1.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile?
The InChIKey is LIXSHBAUYXNSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-3-19-17(2,15-18)9-5-7-10-20-12-13-21-11-6-4-8-16(21)14-20/h16,19H,3-14H2,1-2H3.
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile has a molecular weight of 292.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile is sourced from PubChem (CID 79918629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).