N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide

C11H23N5 — CID 104887396

IUPACN-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCC/N=C(\NN)N1CCN2CCCCC2C1
InChIInChI=1S/C11H23N5/c1-2-13-11(14-12)16-8-7-15-6-4-3-5-10(15)9-16/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyYEPFCDBPKKMMEJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.00
Rot. Bonds1

About N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide

N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (PubChem CID 104887396) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
PubChem CID104887396
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCC/N=C(\NN)N1CCN2CCCCC2C1
InChIInChI=1S/C11H23N5/c1-2-13-11(14-12)16-8-7-15-6-4-3-5-10(15)9-16/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyYEPFCDBPKKMMEJ-UHFFFAOYSA-N
XLogP-0.00
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395
N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887394
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316
N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 104887359
N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143055
N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104885951
N-amino-N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 104883273
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
N'-cyclopentyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 79934866
N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide
CID 104883153
(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
CID 93371854
N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 104883423

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (CID 104887396) is N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is CC/N=C(\NN)N1CCN2CCCCC2C1.
What is the InChIKey of N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is YEPFCDBPKKMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-2-13-11(14-12)16-8-7-15-6-4-3-5-10(15)9-16/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 104887396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).