1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide

C14H28IN5O2 — CID 111768786

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCCOCCOC)NCCn1cc(C)cn1.I
InChIInChI=1S/C14H27N5O2.HI/c1-13-11-18-19(12-13)7-6-17-14(15-2)16-5-4-8-21-10-9-20-3;/h11-12H,4-10H2,1-3H3,(H2,15,16,17);1H
InChIKeyWVLILGWVYKBYES-UHFFFAOYSA-N
MW425.32 g/mol
LogP1.03
Rot. Bonds10

About 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 111768786) has the molecular formula C14H28IN5O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
PubChem CID111768786
Molecular FormulaC14H28IN5O2
Molecular Weight425.32 g/mol
Exact Mass425.13
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCCOCCOC)NCCn1cc(C)cn1.I
InChIInChI=1S/C14H27N5O2.HI/c1-13-11-18-19(12-13)7-6-17-14(15-2)16-5-4-8-21-10-9-20-3;/h11-12H,4-10H2,1-3H3,(H2,15,16,17);1H
InChIKeyWVLILGWVYKBYES-UHFFFAOYSA-N
XLogP1.03
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111768580
1-(3-butoxypropyl)-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111239125
1-butyl-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111761388
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111768662
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(3-phenoxypropyl)guanidine
CID 111418875
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 111759336
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111277836
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 109462345
N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide
CID 111767771

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide (CID 111768786) is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide is C/N=C(\NCCCOCCOC)NCCn1cc(C)cn1.I.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is WVLILGWVYKBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2.HI/c1-13-11-18-19(12-13)7-6-17-14(15-2)16-5-4-8-21-10-9-20-3;/h11-12H,4-10H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 425.32 g/mol, XLogP of 1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111768786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).