1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C20H43N5O2 — CID 111652426

IUPAC1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCN(C)CCCOC
InChIInChI=1S/C20H43N5O2/c1-6-21-20(22-8-10-24(4)9-7-13-26-5)23-17-19(16-18(2)3)25-11-14-27-15-12-25/h18-19H,6-17H2,1-5H3,(H2,21,22,23)
InChIKeySUHWUGPYMZCLKK-UHFFFAOYSA-N
MW385.60 g/mol
LogP1.26
Rot. Bonds13

About 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111652426) has the molecular formula C20H43N5O2 and a molecular weight of 385.60 g/mol. Its IUPAC name is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111652426
Molecular FormulaC20H43N5O2
Molecular Weight385.60 g/mol
Exact Mass385.34
IUPAC Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCN(C)CCCOC
InChIInChI=1S/C20H43N5O2/c1-6-21-20(22-8-10-24(4)9-7-13-26-5)23-17-19(16-18(2)3)25-11-14-27-15-12-25/h18-19H,6-17H2,1-5H3,(H2,21,22,23)
InChIKeySUHWUGPYMZCLKK-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)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-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935563
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111652150
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111653302
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111653584
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667553
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111935158
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111653673
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110942553
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110942554

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111652426) is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is CCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCN(C)CCCOC.
What is the InChIKey of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is SUHWUGPYMZCLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N5O2/c1-6-21-20(22-8-10-24(4)9-7-13-26-5)23-17-19(16-18(2)3)25-11-14-27-15-12-25/h18-19H,6-17H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 385.60 g/mol, XLogP of 1.26, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111652426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).