1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide

C15H26IN5O2 — CID 75419719

IUPAC1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCc1cccnc1N1CCOCC1.I
InChIInChI=1S/C15H25N5O2.HI/c1-16-15(18-6-9-21-2)19-12-13-4-3-5-17-14(13)20-7-10-22-11-8-20;/h3-5H,6-12H2,1-2H3,(H2,16,18,19);1H
InChIKeyXENTVHNZZMYBJM-UHFFFAOYSA-N
MW435.31 g/mol
LogP0.85
Rot. Bonds6

About 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 75419719) has the molecular formula C15H26IN5O2 and a molecular weight of 435.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID75419719
Molecular FormulaC15H26IN5O2
Molecular Weight435.31 g/mol
Exact Mass435.11
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCc1cccnc1N1CCOCC1.I
InChIInChI=1S/C15H25N5O2.HI/c1-16-15(18-6-9-21-2)19-12-13-4-3-5-17-14(13)20-7-10-22-11-8-20;/h3-5H,6-12H2,1-2H3,(H2,16,18,19);1H
InChIKeyXENTVHNZZMYBJM-UHFFFAOYSA-N
XLogP0.85
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 50.85
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-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-phenoxyethyl)guanidine
CID 111004615
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111230148
tert-butyl N-[2-[[N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883610
2-methyl-1-(5-methylhexyl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111580276
1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111641189
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110979717
1-[(3-chlorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111177163
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111863425
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646718
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111280005
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111719403

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide (CID 75419719) is 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide is C/N=C(\NCCOC)NCc1cccnc1N1CCOCC1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is XENTVHNZZMYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.HI/c1-16-15(18-6-9-21-2)19-12-13-4-3-5-17-14(13)20-7-10-22-11-8-20;/h3-5H,6-12H2,1-2H3,(H2,16,18,19);1H.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 435.31 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 75419719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).