N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide

C12H25N5O — CID 104887359

IUPACN-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCN2CCCC2C1
InChIInChI=1S/C12H25N5O/c1-10(9-18-2)14-12(15-13)17-7-6-16-5-3-4-11(16)8-17/h10-11H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyJHZRPLZDWYCVGA-UHFFFAOYSA-N
MW255.37 g/mol
LogP-0.38
Rot. Bonds3

About N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide

N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide (PubChem CID 104887359) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
PubChem CID104887359
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCN2CCCC2C1
InChIInChI=1S/C12H25N5O/c1-10(9-18-2)14-12(15-13)17-7-6-16-5-3-4-11(16)8-17/h10-11H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyJHZRPLZDWYCVGA-UHFFFAOYSA-N
XLogP-0.38
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887394
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
CID 104886119
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883911
N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide
CID 104885840
N-amino-N'-(1-methoxypropan-2-yl)-2-methylmorpholine-4-carboximidamide
CID 104883311
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887396
N-amino-N'-(1-methoxypropan-2-yl)-2,3-dimethylpiperidine-1-carboximidamide
CID 104884194
N-amino-N'-(1-methoxypropan-2-yl)morpholine-4-carboximidamide
CID 104883236
N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxypropan-1-one
CID 115597897
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide (CID 104887359) is N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide is COCC(C)/N=C(\NN)N1CCN2CCCC2C1.
What is the InChIKey of N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is JHZRPLZDWYCVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-10(9-18-2)14-12(15-13)17-7-6-16-5-3-4-11(16)8-17/h10-11H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide?
N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 255.37 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 104887359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).