1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine

C21H36N4O2 — CID 111667510

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
SMILESCCN(CCN/C(=N/C)NCCCOC1CCOCC1)c1cccc(C)c1
InChIInChI=1S/C21H36N4O2/c1-4-25(19-8-5-7-18(2)17-19)13-12-24-21(22-3)23-11-6-14-27-20-9-15-26-16-10-20/h5,7-8,17,20H,4,6,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyXQNQANROPBEKNT-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.57
Rot. Bonds10

About 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine

1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine (PubChem CID 111667510) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
PubChem CID111667510
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
SMILESCCN(CCN/C(=N/C)NCCCOC1CCOCC1)c1cccc(C)c1
InChIInChI=1S/C21H36N4O2/c1-4-25(19-8-5-7-18(2)17-19)13-12-24-21(22-3)23-11-6-14-27-20-9-15-26-16-10-20/h5,7-8,17,20H,4,6,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyXQNQANROPBEKNT-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.57
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-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]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

1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine
CID 110919596
methyl 6-[[N-[2-(N-ethyl-3-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111330959
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
CID 111768047
2-methyl-1-[(4-methylphenyl)methyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667350
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111330692
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111330776
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667418
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111330731
1-(3,3-diphenylpropyl)-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667718
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[2-(N-ethyl-3-methylanilino)ethyl]-2-methylguanidine
CID 111756180
1-(3-butoxypropyl)-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667745
1-[(4-fluorophenyl)methyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667249

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine (CID 111667510) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine is CCN(CCN/C(=N/C)NCCCOC1CCOCC1)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
The InChIKey is XQNQANROPBEKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-4-25(19-8-5-7-18(2)17-19)13-12-24-21(22-3)23-11-6-14-27-20-9-15-26-16-10-20/h5,7-8,17,20H,4,6,9-16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine has a molecular weight of 376.55 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine is sourced from PubChem (CID 111667510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).