1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide

C17H37IN4O — CID 111041494

IUPAC1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(CC(C)C)N1CCOCC1.I
InChIInChI=1S/C17H36N4O.HI/c1-4-5-6-7-8-19-17(18)20-14-16(13-15(2)3)21-9-11-22-12-10-21;/h15-16H,4-14H2,1-3H3,(H3,18,19,20);1H
InChIKeyFMJUJCQJDRKXPP-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.84
Rot. Bonds10

About 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide

1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide (PubChem CID 111041494) has the molecular formula C17H37IN4O and a molecular weight of 440.41 g/mol. Its IUPAC name is 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
PubChem CID111041494
Molecular FormulaC17H37IN4O
Molecular Weight440.41 g/mol
Exact Mass440.20
IUPAC Name1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(CC(C)C)N1CCOCC1.I
InChIInChI=1S/C17H36N4O.HI/c1-4-5-6-7-8-19-17(18)20-14-16(13-15(2)3)21-9-11-22-12-10-21;/h15-16H,4-14H2,1-3H3,(H3,18,19,20);1H
InChIKeyFMJUJCQJDRKXPP-UHFFFAOYSA-N
XLogP2.84
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042263
2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
CID 111802229
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111041502
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
CID 111085600
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667553
1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054817
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-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-octylguanidine;hydroiodide
CID 111070427
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111935158

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide?
The IUPAC name of 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide (CID 111041494) is 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide?
The canonical SMILES for 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide is CCCCCCN/C(N)=N/CC(CC(C)C)N1CCOCC1.I.
What is the InChIKey of 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide?
The InChIKey is FMJUJCQJDRKXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.HI/c1-4-5-6-7-8-19-17(18)20-14-16(13-15(2)3)21-9-11-22-12-10-21;/h15-16H,4-14H2,1-3H3,(H3,18,19,20);1H.
What are the key properties of 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide?
1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide has a molecular weight of 440.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 111041494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).