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

C14H29N5O — CID 104887395

IUPACN-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCN2CCCCC2C1
InChIInChI=1S/C14H29N5O/c1-2-20-11-5-7-16-14(17-15)19-10-9-18-8-4-3-6-13(18)12-19/h13H,2-12,15H2,1H3,(H,16,17)
InChIKeyGOJAUOMKZQSUAF-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.40
Rot. Bonds5

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

N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (PubChem CID 104887395) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
PubChem CID104887395
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCN2CCCCC2C1
InChIInChI=1S/C14H29N5O/c1-2-20-11-5-7-16-14(17-15)19-10-9-18-8-4-3-6-13(18)12-19/h13H,2-12,15H2,1H3,(H,16,17)
InChIKeyGOJAUOMKZQSUAF-UHFFFAOYSA-N
XLogP0.40
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316
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)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
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-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
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-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104885951
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (CID 104887395) is N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is CCOCCC/N=C(\NN)N1CCN2CCCCC2C1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is GOJAUOMKZQSUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-2-20-11-5-7-16-14(17-15)19-10-9-18-8-4-3-6-13(18)12-19/h13H,2-12,15H2,1H3,(H,16,17).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 283.42 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 104887395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).