N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide

C14H24N4O — CID 82864068

IUPACN'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H24N4O/c15-14(16-11-4-2-1-3-5-11)17-8-9-18-12(10-17)6-7-13(18)19/h11-12H,1-10H2,(H2,15,16)
InChIKeyLNBJHZJXECXYGE-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.94
Rot. Bonds1

About N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide

N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (PubChem CID 82864068) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
PubChem CID82864068
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H24N4O/c15-14(16-11-4-2-1-3-5-11)17-8-9-18-12(10-17)6-7-13(18)19/h11-12H,1-10H2,(H2,15,16)
InChIKeyLNBJHZJXECXYGE-UHFFFAOYSA-N
XLogP0.94
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (CID 82864068) is N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is N/C(=N\C1CCCCC1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is LNBJHZJXECXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-14(16-11-4-2-1-3-5-11)17-8-9-18-12(10-17)6-7-13(18)19/h11-12H,1-10H2,(H2,15,16).
What are the key properties of N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 264.37 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 82864068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).