2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

C19H34N4O2 — CID 111354354

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NCCc1ccco1
InChIInChI=1S/C19H34N4O2/c1-6-20-18(21-10-9-17-8-7-11-24-17)22-14-19(4,5)23-12-15(2)25-16(3)13-23/h7-8,11,15-16H,6,9-10,12-14H2,1-5H3,(H2,20,21,22)
InChIKeyIDGLSZHXVASSPF-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.27
Rot. Bonds7

About 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111354354) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111354354
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NCCc1ccco1
InChIInChI=1S/C19H34N4O2/c1-6-20-18(21-10-9-17-8-7-11-24-17)22-14-19(4,5)23-12-15(2)25-16(3)13-23/h7-8,11,15-16H,6,9-10,12-14H2,1-5H3,(H2,20,21,22)
InChIKeyIDGLSZHXVASSPF-UHFFFAOYSA-N
XLogP2.27
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-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

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320348
3-[2-[[N'-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111632306
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354917
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895638
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111542314
3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111354123
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354755
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111542313
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180154
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine;hydroiodide
CID 111663834
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(furan-2-yl)propanamide
CID 29303064
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(furan-2-yl)propanamide
CID 29303063

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (CID 111354354) is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is CCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NCCc1ccco1.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is IDGLSZHXVASSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-6-20-18(21-10-9-17-8-7-11-24-17)22-14-19(4,5)23-12-15(2)25-16(3)13-23/h7-8,11,15-16H,6,9-10,12-14H2,1-5H3,(H2,20,21,22).
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 350.51 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111354354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).