2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine

C18H31N5O2 — CID 111020735

IUPAC2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccnc1OCC)NCC(C)N1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-4-19-18(21-13-15(3)23-9-11-24-12-10-23)22-14-16-7-6-8-20-17(16)25-5-2/h6-8,15H,4-5,9-14H2,1-3H3,(H2,19,21,22)
InChIKeyQIIXVTDLNFXSQB-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.26
Rot. Bonds8

About 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine

2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111020735) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111020735
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccnc1OCC)NCC(C)N1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-4-19-18(21-13-15(3)23-9-11-24-12-10-23)22-14-16-7-6-8-20-17(16)25-5-2/h6-8,15H,4-5,9-14H2,1-3H3,(H2,19,21,22)
InChIKeyQIIXVTDLNFXSQB-UHFFFAOYSA-N
XLogP1.26
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111931054
1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935295
1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111931620
1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111935292
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111022029
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111309128
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020732
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111011410
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
CID 111022049
1-ethyl-3-[2-(4-methylpiperazin-1-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375532
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022150
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022048

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine (CID 111020735) is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\Cc1cccnc1OCC)NCC(C)N1CCOCC1.
What is the InChIKey of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is QIIXVTDLNFXSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-19-18(21-13-15(3)23-9-11-24-12-10-23)22-14-16-7-6-8-20-17(16)25-5-2/h6-8,15H,4-5,9-14H2,1-3H3,(H2,19,21,22).
What are the key properties of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine?
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 349.48 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111020735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).