1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine

C13H30N4O — CID 111180437

IUPAC1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCN(C)CCOC
InChIInChI=1S/C13H30N4O/c1-6-14-13(16-11-12(2)3)15-7-8-17(4)9-10-18-5/h12H,6-11H2,1-5H3,(H2,14,15,16)
InChIKeyVIILJEOTQGJQJO-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.78
Rot. Bonds9

About 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine

1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 111180437) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
PubChem CID111180437
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCN(C)CCOC
InChIInChI=1S/C13H30N4O/c1-6-14-13(16-11-12(2)3)15-7-8-17(4)9-10-18-5/h12H,6-11H2,1-5H3,(H2,14,15,16)
InChIKeyVIILJEOTQGJQJO-UHFFFAOYSA-N
XLogP0.78
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978118
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111709949
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(5-methylhexyl)guanidine;hydroiodide
CID 111579894
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935563
2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111717382
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 109409494
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111712396
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
CID 111652056
1-[2-(diethylamino)ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180876
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180508
1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111151522
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111652426

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine (CID 111180437) is 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NCCN(C)CCOC.
What is the InChIKey of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is VIILJEOTQGJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-6-14-13(16-11-12(2)3)15-7-8-17(4)9-10-18-5/h12H,6-11H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 258.41 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111180437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).