1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine

C15H33N3O — CID 111891337

IUPAC1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NCCCCOCC
InChIInChI=1S/C15H33N3O/c1-5-14(6-2)13-18-15(16-7-3)17-11-9-10-12-19-8-4/h14H,5-13H2,1-4H3,(H2,16,17,18)
InChIKeySBYBMBPUDLEUSH-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.79
Rot. Bonds11

About 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine

1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine (PubChem CID 111891337) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine.

Molecular Properties

Compound Name1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine
PubChem CID111891337
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NCCCCOCC
InChIInChI=1S/C15H33N3O/c1-5-14(6-2)13-18-15(16-7-3)17-11-9-10-12-19-8-4/h14H,5-13H2,1-4H3,(H2,16,17,18)
InChIKeySBYBMBPUDLEUSH-UHFFFAOYSA-N
XLogP2.79
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(4-ethoxybutyl)-3-ethyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111944330
1-ethyl-2-(2-ethylbutyl)-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111987490
1-ethyl-2-(2-ethylbutyl)-3-propylguanidine;hydroiodide
CID 111778482
1-[4-(diethylamino)butyl]-3-ethyl-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111891560
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
CID 111224259
1-ethyl-2-(2-ethylbutyl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111988326
1-(4-ethoxybutyl)-3-ethyl-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine
CID 111714048
ethyl N-[1-[[(4-ethoxybutylamino)-(ethylamino)methylidene]amino]-4-methylpentan-2-yl]carbamate
CID 111946207
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
1-(4-ethoxybutyl)-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931884
1-(4-ethoxybutyl)-3-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 109494279

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
The IUPAC name of 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine (CID 111891337) is 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine.
What is the SMILES notation for 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
The canonical SMILES for 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine is CCN/C(=N\CC(CC)CC)NCCCCOCC.
What is the InChIKey of 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
The InChIKey is SBYBMBPUDLEUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-14(6-2)13-18-15(16-7-3)17-11-9-10-12-19-8-4/h14H,5-13H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine has a molecular weight of 271.45 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine is sourced from PubChem (CID 111891337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).