2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine

C18H30N4O — CID 111660241

IUPAC2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCc1cccc(C(C)C/N=C(\N)NCCCN2CCOCC2)c1
InChIInChI=1S/C18H30N4O/c1-15-5-3-6-17(13-15)16(2)14-21-18(19)20-7-4-8-22-9-11-23-12-10-22/h3,5-6,13,16H,4,7-12,14H2,1-2H3,(H3,19,20,21)
InChIKeyPNVGZUXAQAAQHZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.73
Rot. Bonds7

About 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine

2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111660241) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111660241
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCc1cccc(C(C)C/N=C(\N)NCCCN2CCOCC2)c1
InChIInChI=1S/C18H30N4O/c1-15-5-3-6-17(13-15)16(2)14-21-18(19)20-7-4-8-22-9-11-23-12-10-22/h3,5-6,13,16H,4,7-12,14H2,1-2H3,(H3,19,20,21)
InChIKeyPNVGZUXAQAAQHZ-UHFFFAOYSA-N
XLogP1.73
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.73
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-methylphenoxy)butyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111800215
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054817
2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111085971
2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111062236
1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111061757
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
2-[2-(4-methoxyphenoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111801288
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111028270
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111054825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111660241) is 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is Cc1cccc(C(C)C/N=C(\N)NCCCN2CCOCC2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is PNVGZUXAQAAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-5-3-6-17(13-15)16(2)14-21-18(19)20-7-4-8-22-9-11-23-12-10-22/h3,5-6,13,16H,4,7-12,14H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 318.46 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111660241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).