3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine

C9H22N4O2 — CID 104887493

IUPAC3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
SMILESCCOCCN(C)/C(=N\CCOC)NN
InChIInChI=1S/C9H22N4O2/c1-4-15-8-6-13(2)9(12-10)11-5-7-14-3/h4-8,10H2,1-3H3,(H,11,12)
InChIKeyNKQRJGXFBCODGV-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.58
Rot. Bonds7

About 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine

3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine (PubChem CID 104887493) has the molecular formula C9H22N4O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
PubChem CID104887493
Molecular FormulaC9H22N4O2
Molecular Weight218.30 g/mol
Exact Mass218.17
IUPAC Name3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
SMILESCCOCCN(C)/C(=N\CCOC)NN
InChIInChI=1S/C9H22N4O2/c1-4-15-8-6-13(2)9(12-10)11-5-7-14-3/h4-8,10H2,1-3H3,(H,11,12)
InChIKeyNKQRJGXFBCODGV-UHFFFAOYSA-N
XLogP-0.58
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The IUPAC name of 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine (CID 104887493) is 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine is CCOCCN(C)/C(=N\CCOC)NN.
What is the InChIKey of 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The InChIKey is NKQRJGXFBCODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2/c1-4-15-8-6-13(2)9(12-10)11-5-7-14-3/h4-8,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine?
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine has a molecular weight of 218.30 g/mol, XLogP of -0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine is sourced from PubChem (CID 104887493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).