N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide

C13H27N5O — CID 104887394

IUPACN-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCN2CCCCC2C1
InChIInChI=1S/C13H27N5O/c1-11(10-19-2)15-13(16-14)18-8-7-17-6-4-3-5-12(17)9-18/h11-12H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyGXPQJWIBYSUNQS-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.01
Rot. Bonds3

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

N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (PubChem CID 104887394) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
PubChem CID104887394
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC NameN-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCN2CCCCC2C1
InChIInChI=1S/C13H27N5O/c1-11(10-19-2)15-13(16-14)18-8-7-17-6-4-3-5-12(17)9-18/h11-12H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyGXPQJWIBYSUNQS-UHFFFAOYSA-N
XLogP0.01
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.01
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)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 104887359
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887396
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)-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)-2,3-dimethylpiperidine-1-carboximidamide
CID 104884194
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501833
N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carbothioamide
CID 113230370
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxypropan-1-one
CID 115597897
4-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylbutan-1-one
CID 80543021
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (CID 104887394) is N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is COCC(C)/N=C(\NN)N1CCN2CCCCC2C1.
What is the InChIKey of N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is GXPQJWIBYSUNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-11(10-19-2)15-13(16-14)18-8-7-17-6-4-3-5-12(17)9-18/h11-12H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 269.39 g/mol, XLogP of 0.01, 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)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 104887394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).