1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine

C10H23N3O3 — CID 110939828

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCCOCCOC
InChIInChI=1S/C10H23N3O3/c1-11-10(12-4-6-14-2)13-5-7-16-9-8-15-3/h4-9H2,1-3H3,(H2,11,12,13)
InChIKeyVBIKQLMSBCZEOZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.54
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine

1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 110939828) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID110939828
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCCOCCOC
InChIInChI=1S/C10H23N3O3/c1-11-10(12-4-6-14-2)13-5-7-16-9-8-15-3/h4-9H2,1-3H3,(H2,11,12,13)
InChIKeyVBIKQLMSBCZEOZ-UHFFFAOYSA-N
XLogP-0.54
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.54
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

1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-(2-ethoxyethyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
CID 111894597
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-[2-(2-butoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491655
tert-butyl N-[2-[[N-[2-(2-methoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883818
1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111240887
1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
CID 110943648
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134479
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971648
1-butyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150615
1-(4-ethoxybutyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111946295
1-benzyl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110952649

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 110939828) is 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine is C/N=C(\NCCOC)NCCOCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is VBIKQLMSBCZEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3/c1-11-10(12-4-6-14-2)13-5-7-16-9-8-15-3/h4-9H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 233.31 g/mol, XLogP of -0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 110939828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).