3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

C17H30IN5O — CID 119143503

IUPAC3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cn2c(n1)CCCC2)N1CCC(COC)C1.I
InChIInChI=1S/C17H29N5O.HI/c1-18-17(22-10-7-14(11-22)13-23-2)19-8-6-15-12-21-9-4-3-5-16(21)20-15;/h12,14H,3-11,13H2,1-2H3,(H,18,19);1H
InChIKeyOGHDWKZLTPNOKG-UHFFFAOYSA-N
MW447.37 g/mol
LogP1.92
Rot. Bonds5

About 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119143503) has the molecular formula C17H30IN5O and a molecular weight of 447.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119143503
Molecular FormulaC17H30IN5O
Molecular Weight447.37 g/mol
Exact Mass447.15
IUPAC Name3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cn2c(n1)CCCC2)N1CCC(COC)C1.I
InChIInChI=1S/C17H29N5O.HI/c1-18-17(22-10-7-14(11-22)13-23-2)19-8-6-15-12-21-9-4-3-5-16(21)20-15;/h12,14H,3-11,13H2,1-2H3,(H,18,19);1H
InChIKeyOGHDWKZLTPNOKG-UHFFFAOYSA-N
XLogP1.92
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 51.92
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-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737756
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143831
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737757
2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 119116272
N-[2-(3,5-dichlorophenyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111735575
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143399
3-(methoxymethyl)-N'-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
CID 111737033
3-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737722
3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726
N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737691
3-(methoxymethyl)-N'-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111736664
N-ethyl-3-methyl-N'-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 119130055

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 119143503) is 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCCc1cn2c(n1)CCCC2)N1CCC(COC)C1.I.
What is the InChIKey of 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is OGHDWKZLTPNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.HI/c1-18-17(22-10-7-14(11-22)13-23-2)19-8-6-15-12-21-9-4-3-5-16(21)20-15;/h12,14H,3-11,13H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 447.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119143503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).