2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine

C9H21N3O3 — CID 110918294

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
SMILESCOCCN/C(N)=N/CCOCCOC
InChIInChI=1S/C9H21N3O3/c1-13-5-3-11-9(10)12-4-6-15-8-7-14-2/h3-8H2,1-2H3,(H3,10,11,12)
InChIKeyOWIJJMMIRCQWNE-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.80
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine

2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine (PubChem CID 110918294) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
PubChem CID110918294
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
SMILESCOCCN/C(N)=N/CCOCCOC
InChIInChI=1S/C9H21N3O3/c1-13-5-3-11-9(10)12-4-6-15-8-7-14-2/h3-8H2,1-2H3,(H3,10,11,12)
InChIKeyOWIJJMMIRCQWNE-UHFFFAOYSA-N
XLogP-0.80
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.80
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

1,2-bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]guanidine
CID 126755953
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
propan-2-yl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 73080289
1-(2-tert-butylsulfinylethyl)-2-(2-methoxyethyl)guanidine
CID 111424463
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
CID 11160923
4-bromo-N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]benzamide
CID 138995545
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine (CID 110918294) is 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine is COCCN/C(N)=N/CCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine?
The InChIKey is OWIJJMMIRCQWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-13-5-3-11-9(10)12-4-6-15-8-7-14-2/h3-8H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine?
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine has a molecular weight of 219.28 g/mol, XLogP of -0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110918294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).