1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine

C9H20N4O2 — CID 104882642

IUPAC1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine
SMILESCOCCN/C(=N\CC1CCOC1)NN
InChIInChI=1S/C9H20N4O2/c1-14-5-3-11-9(13-10)12-6-8-2-4-15-7-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeySVSDARMBDMFZMR-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.92
Rot. Bonds5

About 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine

1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine (PubChem CID 104882642) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine
PubChem CID104882642
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine
SMILESCOCCN/C(=N\CC1CCOC1)NN
InChIInChI=1S/C9H20N4O2/c1-14-5-3-11-9(13-10)12-6-8-2-4-15-7-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeySVSDARMBDMFZMR-UHFFFAOYSA-N
XLogP-0.92
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.92
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-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine (CID 104882642) is 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine is COCCN/C(=N\CC1CCOC1)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine?
The InChIKey is SVSDARMBDMFZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-14-5-3-11-9(13-10)12-6-8-2-4-15-7-8/h8H,2-7,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine?
1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine has a molecular weight of 216.28 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 104882642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).