1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine

C18H39N5O — CID 111568363

IUPAC1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
SMILESCCC1CCCCN1CCN/C(=N/C)NCCCN(C)CCOC
InChIInChI=1S/C18H39N5O/c1-5-17-9-6-7-13-23(17)14-11-21-18(19-2)20-10-8-12-22(3)15-16-24-4/h17H,5-16H2,1-4H3,(H2,19,20,21)
InChIKeyJXAWGGHEGSXJRP-UHFFFAOYSA-N
MW341.54 g/mol
LogP1.38
Rot. Bonds11

About 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine

1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine (PubChem CID 111568363) has the molecular formula C18H39N5O and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
PubChem CID111568363
Molecular FormulaC18H39N5O
Molecular Weight341.54 g/mol
Exact Mass341.32
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
SMILESCCC1CCCCN1CCN/C(=N/C)NCCCN(C)CCOC
InChIInChI=1S/C18H39N5O/c1-5-17-9-6-7-13-23(17)14-11-21-18(19-2)20-10-8-12-22(3)15-16-24-4/h17H,5-16H2,1-4H3,(H2,19,20,21)
InChIKeyJXAWGGHEGSXJRP-UHFFFAOYSA-N
XLogP1.38
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 51.38
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-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111651948
1-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111568377
1-(cyclopropylmethyl)-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568492
1-(3-cyclohexyloxypropyl)-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111396927
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111567843
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111583590
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine
CID 111567635
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
CID 111567842
1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111161319
1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 111150136
1-[(1-butylpiperidin-2-yl)methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405980
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[2-(ethylsulfonylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111568032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine (CID 111568363) is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine is CCC1CCCCN1CCN/C(=N/C)NCCCN(C)CCOC.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
The InChIKey is JXAWGGHEGSXJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N5O/c1-5-17-9-6-7-13-23(17)14-11-21-18(19-2)20-10-8-12-22(3)15-16-24-4/h17H,5-16H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine has a molecular weight of 341.54 g/mol, XLogP of 1.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine is sourced from PubChem (CID 111568363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).