N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide

C13H22IN5O — CID 119121254

IUPACN'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cn2c(n1)CCCC2)N1CCOCC1
InChIInChI=1S/C13H21N5O.HI/c14-13(17-5-7-19-8-6-17)15-9-11-10-18-4-2-1-3-12(18)16-11;/h10H,1-9H2,(H2,14,15);1H
InChIKeyGSQFEPCEQYFYQE-UHFFFAOYSA-N
MW391.26 g/mol
LogP0.98
Rot. Bonds2

About N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide

N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 119121254) has the molecular formula C13H22IN5O and a molecular weight of 391.26 g/mol. Its IUPAC name is N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID119121254
Molecular FormulaC13H22IN5O
Molecular Weight391.26 g/mol
Exact Mass391.09
IUPAC NameN'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cn2c(n1)CCCC2)N1CCOCC1
InChIInChI=1S/C13H21N5O.HI/c14-13(17-5-7-19-8-6-17)15-9-11-10-18-4-2-1-3-12(18)16-11;/h10H,1-9H2,(H2,14,15);1H
InChIKeyGSQFEPCEQYFYQE-UHFFFAOYSA-N
XLogP0.98
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 119121295
1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121272
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170
N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide
CID 111600825
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylhydrazine
CID 146157907
N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955498
1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121281

Frequently Asked Questions

What is the IUPAC name of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide (CID 119121254) is N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1cn2c(n1)CCCC2)N1CCOCC1.
What is the InChIKey of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is GSQFEPCEQYFYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.HI/c14-13(17-5-7-19-8-6-17)15-9-11-10-18-4-2-1-3-12(18)16-11;/h10H,1-9H2,(H2,14,15);1H.
What are the key properties of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 391.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119121254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).