1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine

C16H28N4O3 — CID 111840133

IUPAC1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CCCOCCOC)NCCOc1cccnc1
InChIInChI=1S/C16H28N4O3/c1-3-18-16(19-8-5-10-22-13-12-21-2)20-9-11-23-15-6-4-7-17-14-15/h4,6-7,14H,3,5,8-13H2,1-2H3,(H2,18,19,20)
InChIKeyPWMYCPKVCLZFQN-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.07
Rot. Bonds12

About 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine

1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine (PubChem CID 111840133) has the molecular formula C16H28N4O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
PubChem CID111840133
Molecular FormulaC16H28N4O3
Molecular Weight324.42 g/mol
Exact Mass324.22
IUPAC Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CCCOCCOC)NCCOc1cccnc1
InChIInChI=1S/C16H28N4O3/c1-3-18-16(19-8-5-10-22-13-12-21-2)20-9-11-23-15-6-4-7-17-14-15/h4,6-7,14H,3,5,8-13H2,1-2H3,(H2,18,19,20)
InChIKeyPWMYCPKVCLZFQN-UHFFFAOYSA-N
XLogP1.07
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.07
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

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840193
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-phenoxypropyl)guanidine
CID 111418357
N-[3-[2-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111405693
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838187
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404214
1-[2-(4-bromophenoxy)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110974665
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276791
2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111240907
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111835729
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 111787284

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine (CID 111840133) is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine is CCN/C(=N\CCCOCCOC)NCCOc1cccnc1.
What is the InChIKey of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
The InChIKey is PWMYCPKVCLZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-3-18-16(19-8-5-10-22-13-12-21-2)20-9-11-23-15-6-4-7-17-14-15/h4,6-7,14H,3,5,8-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine has a molecular weight of 324.42 g/mol, XLogP of 1.07, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine is sourced from PubChem (CID 111840133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).