1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine

C23H33N5O — CID 111964411

IUPAC1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)NCCCc1ccccc1
InChIInChI=1S/C23H33N5O/c1-3-24-23(26-12-7-10-20-8-5-4-6-9-20)27-17-21-11-13-25-22(16-21)28-14-15-29-19(2)18-28/h4-6,8-9,11,13,16,19H,3,7,10,12,14-15,17-18H2,1-2H3,(H2,24,26,27)
InChIKeyXMKUQOOJAVAMFA-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.99
Rot. Bonds8

About 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine

1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine (PubChem CID 111964411) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine
PubChem CID111964411
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)NCCCc1ccccc1
InChIInChI=1S/C23H33N5O/c1-3-24-23(26-12-7-10-20-8-5-4-6-9-20)27-17-21-11-13-25-22(16-21)28-14-15-29-19(2)18-28/h4-6,8-9,11,13,16,19H,3,7,10,12,14-15,17-18H2,1-2H3,(H2,24,26,27)
InChIKeyXMKUQOOJAVAMFA-UHFFFAOYSA-N
XLogP2.99
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111965043
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111965042
1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111965070
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964623
N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111963911
1-ethyl-3-(3-phenylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111199246
1-butyl-3-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111151814
1-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191013
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111396098
1-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403556
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-benzyl-3-ethylguanidine
CID 111546151
1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111341801

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine (CID 111964411) is 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine is CCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)NCCCc1ccccc1.
What is the InChIKey of 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine?
The InChIKey is XMKUQOOJAVAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-3-24-23(26-12-7-10-20-8-5-4-6-9-20)27-17-21-11-13-25-22(16-21)28-14-15-29-19(2)18-28/h4-6,8-9,11,13,16,19H,3,7,10,12,14-15,17-18H2,1-2H3,(H2,24,26,27).
What are the key properties of 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine?
1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine has a molecular weight of 395.55 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine is sourced from PubChem (CID 111964411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).