1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine

C8H20N4O — CID 104882707

IUPAC1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine
SMILESCCOCC/N=C(\NN)NC(C)C
InChIInChI=1S/C8H20N4O/c1-4-13-6-5-10-8(12-9)11-7(2)3/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyDLDDPSZTRFABDO-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.16
Rot. Bonds5

About 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine

1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine (PubChem CID 104882707) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine
PubChem CID104882707
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine
SMILESCCOCC/N=C(\NN)NC(C)C
InChIInChI=1S/C8H20N4O/c1-4-13-6-5-10-8(12-9)11-7(2)3/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyDLDDPSZTRFABDO-UHFFFAOYSA-N
XLogP-0.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-(2-ethoxyethyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine (CID 104882707) is 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine is CCOCC/N=C(\NN)NC(C)C.
What is the InChIKey of 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine?
The InChIKey is DLDDPSZTRFABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-4-13-6-5-10-8(12-9)11-7(2)3/h7H,4-6,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine?
1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine has a molecular weight of 188.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 104882707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).