1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine

C10H24N4O2 — CID 104882701

IUPAC1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(/NN)NCCOCC
InChIInChI=1S/C10H24N4O2/c1-3-15-8-5-6-12-10(14-11)13-7-9-16-4-2/h3-9,11H2,1-2H3,(H2,12,13,14)
InChIKeyZDYMRZQMSADZNY-UHFFFAOYSA-N
MW232.33 g/mol
LogP-0.14
Rot. Bonds9

About 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine

1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine (PubChem CID 104882701) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine
PubChem CID104882701
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(/NN)NCCOCC
InChIInChI=1S/C10H24N4O2/c1-3-15-8-5-6-12-10(14-11)13-7-9-16-4-2/h3-9,11H2,1-2H3,(H2,12,13,14)
InChIKeyZDYMRZQMSADZNY-UHFFFAOYSA-N
XLogP-0.14
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine (CID 104882701) is 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(/NN)NCCOCC.
What is the InChIKey of 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine?
The InChIKey is ZDYMRZQMSADZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-3-15-8-5-6-12-10(14-11)13-7-9-16-4-2/h3-9,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine?
1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine has a molecular weight of 232.33 g/mol, XLogP of -0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104882701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).