1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine

C20H34N4O — CID 111054817

IUPAC1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCCCCCN/C(N)=N/CC(c1cccc(C)c1)N1CCOCC1
InChIInChI=1S/C20H34N4O/c1-3-4-5-6-10-22-20(21)23-16-19(24-11-13-25-14-12-24)18-9-7-8-17(2)15-18/h7-9,15,19H,3-6,10-14,16H2,1-2H3,(H3,21,22,23)
InChIKeyCZBAINNYAQLMPB-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.85
Rot. Bonds9

About 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine

1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111054817) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111054817
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCCCCCN/C(N)=N/CC(c1cccc(C)c1)N1CCOCC1
InChIInChI=1S/C20H34N4O/c1-3-4-5-6-10-22-20(21)23-16-19(24-11-13-25-14-12-24)18-9-7-8-17(2)15-18/h7-9,15,19H,3-6,10-14,16H2,1-2H3,(H3,21,22,23)
InChIKeyCZBAINNYAQLMPB-UHFFFAOYSA-N
XLogP2.85
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.85
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'}

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Related Compounds

2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
CID 111085600
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111054825
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110925402
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
1-(cyclobutylmethyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054851
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
1-(cyclobutylmethyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054850
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241
1-(3-ethoxypropyl)-3-ethyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111224130
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111098630
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111028236

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine (CID 111054817) is 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine is CCCCCCN/C(N)=N/CC(c1cccc(C)c1)N1CCOCC1.
What is the InChIKey of 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is CZBAINNYAQLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-3-4-5-6-10-22-20(21)23-16-19(24-11-13-25-14-12-24)18-9-7-8-17(2)15-18/h7-9,15,19H,3-6,10-14,16H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 346.52 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111054817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).