3-amino-1,1,2-tris(2-methoxyethyl)guanidine

C10H24N4O3 — CID 104885360

IUPAC3-amino-1,1,2-tris(2-methoxyethyl)guanidine
SMILESCOCC/N=C(/NN)N(CCOC)CCOC
InChIInChI=1S/C10H24N4O3/c1-15-7-4-12-10(13-11)14(5-8-16-2)6-9-17-3/h4-9,11H2,1-3H3,(H,12,13)
InChIKeyWYXUYIHOYYKJFQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.95
Rot. Bonds9

About 3-amino-1,1,2-tris(2-methoxyethyl)guanidine

3-amino-1,1,2-tris(2-methoxyethyl)guanidine (PubChem CID 104885360) has the molecular formula C10H24N4O3 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-1,1,2-tris(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-1,1,2-tris(2-methoxyethyl)guanidine
PubChem CID104885360
Molecular FormulaC10H24N4O3
Molecular Weight248.33 g/mol
Exact Mass248.18
IUPAC Name3-amino-1,1,2-tris(2-methoxyethyl)guanidine
SMILESCOCC/N=C(/NN)N(CCOC)CCOC
InChIInChI=1S/C10H24N4O3/c1-15-7-4-12-10(13-11)14(5-8-16-2)6-9-17-3/h4-9,11H2,1-3H3,(H,12,13)
InChIKeyWYXUYIHOYYKJFQ-UHFFFAOYSA-N
XLogP-0.95
TPSA81.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1,1,2-tris(2-methoxyethyl)guanidine?
The IUPAC name of 3-amino-1,1,2-tris(2-methoxyethyl)guanidine (CID 104885360) is 3-amino-1,1,2-tris(2-methoxyethyl)guanidine.
What is the SMILES notation for 3-amino-1,1,2-tris(2-methoxyethyl)guanidine?
The canonical SMILES for 3-amino-1,1,2-tris(2-methoxyethyl)guanidine is COCC/N=C(/NN)N(CCOC)CCOC.
What is the InChIKey of 3-amino-1,1,2-tris(2-methoxyethyl)guanidine?
The InChIKey is WYXUYIHOYYKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3/c1-15-7-4-12-10(13-11)14(5-8-16-2)6-9-17-3/h4-9,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-1,1,2-tris(2-methoxyethyl)guanidine?
3-amino-1,1,2-tris(2-methoxyethyl)guanidine has a molecular weight of 248.33 g/mol, XLogP of -0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,2-tris(2-methoxyethyl)guanidine is sourced from PubChem (CID 104885360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).