1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

C16H31IN6O — CID 111315275

IUPAC1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCn1ccnc1.I
InChIInChI=1S/C16H30N6O.HI/c1-4-18-15(19-6-8-21-7-5-17-14-21)20-13-16(2,3)22-9-11-23-12-10-22;/h5,7,14H,4,6,8-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyKETVUWVNYYAQAT-UHFFFAOYSA-N
MW450.37 g/mol
LogP1.17
Rot. Bonds7

About 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111315275) has the molecular formula C16H31IN6O and a molecular weight of 450.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111315275
Molecular FormulaC16H31IN6O
Molecular Weight450.37 g/mol
Exact Mass450.16
IUPAC Name1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCn1ccnc1.I
InChIInChI=1S/C16H30N6O.HI/c1-4-18-15(19-6-8-21-7-5-17-14-21)20-13-16(2,3)22-9-11-23-12-10-22;/h5,7,14H,4,6,8-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyKETVUWVNYYAQAT-UHFFFAOYSA-N
XLogP1.17
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314269
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111830305
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284542
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111312475
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111313922
1-(2-butoxyethyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315969
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(5-piperidin-1-ylpentyl)guanidine
CID 111784230
1-ethyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315525
1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111315275) is 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)N1CCOCC1)NCCn1ccnc1.I.
What is the InChIKey of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is KETVUWVNYYAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O.HI/c1-4-18-15(19-6-8-21-7-5-17-14-21)20-13-16(2,3)22-9-11-23-12-10-22;/h5,7,14H,4,6,8-13H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 450.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111315275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).