1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine

C13H22N4O2 — CID 110918819

IUPAC1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1C/N=C(\N)NCCOC
InChIInChI=1S/C13H22N4O2/c1-3-8-19-12-11(5-4-6-15-12)10-17-13(14)16-7-9-18-2/h4-6H,3,7-10H2,1-2H3,(H3,14,16,17)
InChIKeyOPPLVHCLCCDJFU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.92
Rot. Bonds8

About 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine

1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 110918819) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID110918819
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1C/N=C(\N)NCCOC
InChIInChI=1S/C13H22N4O2/c1-3-8-19-12-11(5-4-6-15-12)10-17-13(14)16-7-9-18-2/h4-6H,3,7-10H2,1-2H3,(H3,14,16,17)
InChIKeyOPPLVHCLCCDJFU-UHFFFAOYSA-N
XLogP0.92
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
CID 110918831
1-(3-methylbutyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111083333
2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine
CID 111059523
2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111061006
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110939813
1-butyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111068670
2-[(2-butoxy-3-pyridinyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111083443
1-propyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111050358
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939194
1-butyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111050524
1-(3-methylbutyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059514
2-[(2-butoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111083416

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine (CID 110918819) is 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ncccc1C/N=C(\N)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is OPPLVHCLCCDJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-8-19-12-11(5-4-6-15-12)10-17-13(14)16-7-9-18-2/h4-6H,3,7-10H2,1-2H3,(H3,14,16,17).
What are the key properties of 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine?
1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 266.34 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110918819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).