1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine

C12H27N3O2 — CID 111224057

IUPAC1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOCC)NCCOCC
InChIInChI=1S/C12H27N3O2/c1-4-13-12(15-9-11-17-6-3)14-8-7-10-16-5-2/h4-11H2,1-3H3,(H2,13,14,15)
InChIKeyHLOVNTYHJMBJQC-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.00
Rot. Bonds10

About 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine

1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine (PubChem CID 111224057) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
PubChem CID111224057
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOCC)NCCOCC
InChIInChI=1S/C12H27N3O2/c1-4-13-12(15-9-11-17-6-3)14-8-7-10-16-5-2/h4-11H2,1-3H3,(H2,13,14,15)
InChIKeyHLOVNTYHJMBJQC-UHFFFAOYSA-N
XLogP1.00
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
1-(2-ethoxyethyl)-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111894382
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-ethyl-3-[2-(2-methylpropoxy)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111402359
1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
CID 111224259
2-(3-ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471
2-[3-(diethylamino)propyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897154
1-(2-ethoxyethyl)-3-ethyl-2-(5-methylhexyl)guanidine;hydroiodide
CID 111580367
2-[7-(dimethylamino)heptyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111895753
2-(4-ethoxybutyl)-1-ethyl-3-(3-methylbutyl)guanidine
CID 110977551

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine?
The IUPAC name of 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine (CID 111224057) is 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine is CCN/C(=N\CCCOCC)NCCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine?
The InChIKey is HLOVNTYHJMBJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-13-12(15-9-11-17-6-3)14-8-7-10-16-5-2/h4-11H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine?
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine has a molecular weight of 245.37 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine is sourced from PubChem (CID 111224057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).