1-ethyl-2,3-bis(2-methoxyethyl)guanidine

C9H21N3O2 — CID 110940924

IUPAC1-ethyl-2,3-bis(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCOC
InChIInChI=1S/C9H21N3O2/c1-4-10-9(11-5-7-13-2)12-6-8-14-3/h4-8H2,1-3H3,(H2,10,11,12)
InChIKeyPSIOUDWJNORROW-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.17
Rot. Bonds7

About 1-ethyl-2,3-bis(2-methoxyethyl)guanidine

1-ethyl-2,3-bis(2-methoxyethyl)guanidine (PubChem CID 110940924) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-ethyl-2,3-bis(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2,3-bis(2-methoxyethyl)guanidine
PubChem CID110940924
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name1-ethyl-2,3-bis(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCOC
InChIInChI=1S/C9H21N3O2/c1-4-10-9(11-5-7-13-2)12-6-8-14-3/h4-8H2,1-3H3,(H2,10,11,12)
InChIKeyPSIOUDWJNORROW-UHFFFAOYSA-N
XLogP-0.17
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine
CID 110941554
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110941028
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110965781
1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine
CID 111587817
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine
CID 110941656
1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606699
1-ethyl-3-(2-methoxyethyl)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 110942648
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941681
1-ethyl-3-(2-methoxyethyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110939989
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methoxyethyl)guanidine
CID 110940012

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-bis(2-methoxyethyl)guanidine?
The IUPAC name of 1-ethyl-2,3-bis(2-methoxyethyl)guanidine (CID 110940924) is 1-ethyl-2,3-bis(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2,3-bis(2-methoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2,3-bis(2-methoxyethyl)guanidine is CCN/C(=N\CCOC)NCCOC.
What is the InChIKey of 1-ethyl-2,3-bis(2-methoxyethyl)guanidine?
The InChIKey is PSIOUDWJNORROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-4-10-9(11-5-7-13-2)12-6-8-14-3/h4-8H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-ethyl-2,3-bis(2-methoxyethyl)guanidine?
1-ethyl-2,3-bis(2-methoxyethyl)guanidine has a molecular weight of 203.29 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-bis(2-methoxyethyl)guanidine is sourced from PubChem (CID 110940924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).