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

C15H30N4O — CID 79934820

IUPAC2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide
SMILESCC(N)(CCCCN1CCN2CCCCC2C1)C(N)=O
InChIInChI=1S/C15H30N4O/c1-15(17,14(16)20)7-3-5-8-18-10-11-19-9-4-2-6-13(19)12-18/h13H,2-12,17H2,1H3,(H2,16,20)
InChIKeyURMYFISGZARUAR-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.53
Rot. Bonds6

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

2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide (PubChem CID 79934820) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide.

Molecular Properties

Compound Name2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide
PubChem CID79934820
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide
SMILESCC(N)(CCCCN1CCN2CCCCC2C1)C(N)=O
InChIInChI=1S/C15H30N4O/c1-15(17,14(16)20)7-3-5-8-18-10-11-19-9-4-2-6-13(19)12-18/h13H,2-12,17H2,1H3,(H2,16,20)
InChIKeyURMYFISGZARUAR-UHFFFAOYSA-N
XLogP0.53
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylpropanamide
CID 79935160
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylpentanoic acid
CID 79945932
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanamide
CID 79917010
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide
CID 79916763
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 79935074
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
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-amino-2-ethylpentanoic acid
CID 106806403
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79935358
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide?
The IUPAC name of 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide (CID 79934820) is 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide.
What is the SMILES notation for 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide?
The canonical SMILES for 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide is CC(N)(CCCCN1CCN2CCCCC2C1)C(N)=O.
What is the InChIKey of 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide?
The InChIKey is URMYFISGZARUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-15(17,14(16)20)7-3-5-8-18-10-11-19-9-4-2-6-13(19)12-18/h13H,2-12,17H2,1H3,(H2,16,20).
What are the key properties of 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide?
2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide has a molecular weight of 282.43 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide is sourced from PubChem (CID 79934820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).