3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine

C8H20N4O — CID 104882063

IUPAC3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCN(/C(=N/C)NN)C(C)COC
InChIInChI=1S/C8H20N4O/c1-5-12(7(2)6-13-4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyODBVPBSRJJIFPJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.21
Rot. Bonds4

About 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine

3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine (PubChem CID 104882063) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
PubChem CID104882063
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCN(/C(=N/C)NN)C(C)COC
InChIInChI=1S/C8H20N4O/c1-5-12(7(2)6-13-4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyODBVPBSRJJIFPJ-UHFFFAOYSA-N
XLogP-0.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine (CID 104882063) is 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine is CCN(/C(=N/C)NN)C(C)COC.
What is the InChIKey of 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The InChIKey is ODBVPBSRJJIFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-5-12(7(2)6-13-4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine has a molecular weight of 188.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 104882063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).