1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine

C16H27N5O2 — CID 111835729

IUPAC1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CCN1CCOCC1)NCCOc1cccnc1
InChIInChI=1S/C16H27N5O2/c1-2-18-16(19-6-8-21-9-12-22-13-10-21)20-7-11-23-15-4-3-5-17-14-15/h3-5,14H,2,6-13H2,1H3,(H2,18,19,20)
InChIKeyHWMGBXJLODMQLG-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.35
Rot. Bonds8

About 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine

1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine (PubChem CID 111835729) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
PubChem CID111835729
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC Name1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CCN1CCOCC1)NCCOc1cccnc1
InChIInChI=1S/C16H27N5O2/c1-2-18-16(19-6-8-21-9-12-22-13-10-21)20-7-11-23-15-4-3-5-17-14-15/h3-5,14H,2,6-13H2,1H3,(H2,18,19,20)
InChIKeyHWMGBXJLODMQLG-UHFFFAOYSA-N
XLogP0.35
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838187
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 110972471
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine
CID 111187685
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111187375
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(3-phenoxypropyl)guanidine
CID 111187479
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972329
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111837842
1-ethyl-2-[3-(2-oxoazepan-1-yl)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838631
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840133
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111838094
1-ethyl-2-[3-(4-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971534
1-[2-(2,3-dichlorophenoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971520

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine (CID 111835729) is 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine is CCN/C(=N\CCN1CCOCC1)NCCOc1cccnc1.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
The InChIKey is HWMGBXJLODMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-2-18-16(19-6-8-21-9-12-22-13-10-21)20-7-11-23-15-4-3-5-17-14-15/h3-5,14H,2,6-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine has a molecular weight of 321.42 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine is sourced from PubChem (CID 111835729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).