1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

C17H31N3O3 — CID 111499647

IUPAC1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESCCCCOCCOCCN/C(=N\C)NC(C)c1ccc(C)o1
InChIInChI=1S/C17H31N3O3/c1-5-6-10-21-12-13-22-11-9-19-17(18-4)20-15(3)16-8-7-14(2)23-16/h7-8,15H,5-6,9-13H2,1-4H3,(H2,18,19,20)
InChIKeyAMZUGZVDEVKPJF-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.65
Rot. Bonds11

About 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (PubChem CID 111499647) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
PubChem CID111499647
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESCCCCOCCOCCN/C(=N\C)NC(C)c1ccc(C)o1
InChIInChI=1S/C17H31N3O3/c1-5-6-10-21-12-13-22-11-9-19-17(18-4)20-15(3)16-8-7-14(2)23-16/h7-8,15H,5-6,9-13H2,1-4H3,(H2,18,19,20)
InChIKeyAMZUGZVDEVKPJF-UHFFFAOYSA-N
XLogP2.65
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111499651
1-[2-(2-butoxyethoxy)ethyl]-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-methylguanidine
CID 111499765
1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 111984758
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111499351
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111494846
2-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119133116
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111499478
1-[2-(2-butoxyethoxy)ethyl]-3-(3-butoxypropyl)-2-methylguanidine;hydroiodide
CID 111499418
2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111366459
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 111692935
1-(2-butoxyethyl)-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111899283
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (CID 111499647) is 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine is CCCCOCCOCCN/C(=N\C)NC(C)c1ccc(C)o1.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The InChIKey is AMZUGZVDEVKPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-5-6-10-21-12-13-22-11-9-19-17(18-4)20-15(3)16-8-7-14(2)23-16/h7-8,15H,5-6,9-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine has a molecular weight of 325.45 g/mol, XLogP of 2.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine is sourced from PubChem (CID 111499647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).