1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C13H28N4O — CID 111041553

IUPAC1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(N)=N/CC(CC(C)C)N1CCOCC1
InChIInChI=1S/C13H28N4O/c1-4-15-13(14)16-10-12(9-11(2)3)17-5-7-18-8-6-17/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyQFZUQXBDASYVHH-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.66
Rot. Bonds6

About 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111041553) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111041553
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(N)=N/CC(CC(C)C)N1CCOCC1
InChIInChI=1S/C13H28N4O/c1-4-15-13(14)16-10-12(9-11(2)3)17-5-7-18-8-6-17/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyQFZUQXBDASYVHH-UHFFFAOYSA-N
XLogP0.66
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-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-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111041494
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042263
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-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111935782
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111041502
N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
CID 111041535
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111041525
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136538
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111935886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111041553) is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is CCN/C(N)=N/CC(CC(C)C)N1CCOCC1.
What is the InChIKey of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is QFZUQXBDASYVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-15-13(14)16-10-12(9-11(2)3)17-5-7-18-8-6-17/h11-12H,4-10H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 256.39 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111041553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).