1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine

C19H40N4O2 — CID 111607471

IUPAC1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCC(C(CC)CC)N1CCOCC1
InChIInChI=1S/C19H40N4O2/c1-7-16(8-2)17(23-10-12-25-13-11-23)14-21-18(20-9-3)22-15-19(4,5)24-6/h16-17H,7-15H2,1-6H3,(H2,20,21,22)
InChIKeyHIVUEKWVMPKXDJ-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.10
Rot. Bonds10

About 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine

1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine (PubChem CID 111607471) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine
PubChem CID111607471
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC Name1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCC(C(CC)CC)N1CCOCC1
InChIInChI=1S/C19H40N4O2/c1-7-16(8-2)17(23-10-12-25-13-11-23)14-21-18(20-9-3)22-15-19(4,5)24-6/h16-17H,7-15H2,1-6H3,(H2,20,21,22)
InChIKeyHIVUEKWVMPKXDJ-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.10
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 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)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-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607470
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111607630
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111607023
1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658890
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111606958
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111606918
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672331
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111606959
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide
CID 111936645
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111998804
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111607133
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111936878

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine (CID 111607471) is 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine is CCN/C(=N\CC(C)(C)OC)NCC(C(CC)CC)N1CCOCC1.
What is the InChIKey of 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine?
The InChIKey is HIVUEKWVMPKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O2/c1-7-16(8-2)17(23-10-12-25-13-11-23)14-21-18(20-9-3)22-15-19(4,5)24-6/h16-17H,7-15H2,1-6H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine?
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine has a molecular weight of 356.56 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111607471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).