1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine

C20H34N4O — CID 110971895

IUPAC1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCC(C)c1ccccc1
InChIInChI=1S/C20H34N4O/c1-3-21-20(22-11-7-13-24-14-16-25-17-15-24)23-12-10-18(2)19-8-5-4-6-9-19/h4-6,8-9,18H,3,7,10-17H2,1-2H3,(H2,21,22,23)
InChIKeyPUMBDBZPJUNSBI-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.46
Rot. Bonds9

About 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine

1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine (PubChem CID 110971895) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine
PubChem CID110971895
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCC(C)c1ccccc1
InChIInChI=1S/C20H34N4O/c1-3-21-20(22-11-7-13-24-14-16-25-17-15-24)23-12-10-18(2)19-8-5-4-6-9-19/h4-6,8-9,18H,3,7,10-17H2,1-2H3,(H2,21,22,23)
InChIKeyPUMBDBZPJUNSBI-UHFFFAOYSA-N
XLogP2.46
TPSA48.89 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 ≤ 52.46
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

1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine
CID 110972271
2-(2,2-diphenylethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111357126
1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine
CID 111199504
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 110972471
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(3-phenylbutyl)guanidine;hydroiodide
CID 111146700
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(3-phenoxypropyl)guanidine
CID 111187479
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 111883185
2-benzyl-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 110952780
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971842
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111547812
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972505
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188192

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine (CID 110971895) is 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine is CCN/C(=N\CCCN1CCOCC1)NCCC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine?
The InChIKey is PUMBDBZPJUNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-3-21-20(22-11-7-13-24-14-16-25-17-15-24)23-12-10-18(2)19-8-5-4-6-9-19/h4-6,8-9,18H,3,7,10-17H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine?
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine has a molecular weight of 346.52 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine is sourced from PubChem (CID 110971895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).