2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile

C16H30N4 — CID 106803860

IUPAC2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile
SMILESCCC(N)(C#N)CCCN1CC2CCCCN2CC1C
InChIInChI=1S/C16H30N4/c1-3-16(18,13-17)8-6-10-19-12-15-7-4-5-9-20(15)11-14(19)2/h14-15H,3-12,18H2,1-2H3
InChIKeySMTVJGJDEOKVGF-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.96
Rot. Bonds5

About 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile

2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile (PubChem CID 106803860) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile
PubChem CID106803860
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile
SMILESCCC(N)(C#N)CCCN1CC2CCCCN2CC1C
InChIInChI=1S/C16H30N4/c1-3-16(18,13-17)8-6-10-19-12-15-7-4-5-9-20(15)11-14(19)2/h14-15H,3-12,18H2,1-2H3
InChIKeySMTVJGJDEOKVGF-UHFFFAOYSA-N
XLogP1.96
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanamide
CID 79934992
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile
CID 106803113
2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79917003
2-amino-2-ethyl-5-pyrrolidin-1-ylpentanenitrile
CID 106802830
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(methylamino)pentanamide
CID 79945366
2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975
N-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexyl]cyclopropanamine
CID 79918072
3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934877
2-(ethylamino)-2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 79931921
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile (CID 106803860) is 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile is CCC(N)(C#N)CCCN1CC2CCCCN2CC1C.
What is the InChIKey of 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile?
The InChIKey is SMTVJGJDEOKVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-16(18,13-17)8-6-10-19-12-15-7-4-5-9-20(15)11-14(19)2/h14-15H,3-12,18H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile?
2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile has a molecular weight of 278.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile is sourced from PubChem (CID 106803860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).