1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine

C19H32N4O2 — CID 111840273

IUPAC1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCC1CCCO1)NCCc1ccc(C)nc1
InChIInChI=1S/C19H32N4O2/c1-3-20-19(22-11-9-17-8-7-16(2)23-14-17)21-10-5-12-24-15-18-6-4-13-25-18/h7-8,14,18H,3-6,9-13,15H2,1-2H3,(H2,20,21,22)
InChIKeyMILLSBMQVMEMLL-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.07
Rot. Bonds10

About 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine

1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine (PubChem CID 111840273) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
PubChem CID111840273
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCC1CCCO1)NCCc1ccc(C)nc1
InChIInChI=1S/C19H32N4O2/c1-3-20-19(22-11-9-17-8-7-16(2)23-14-17)21-10-5-12-24-15-18-6-4-13-25-18/h7-8,14,18H,3-6,9-13,15H2,1-2H3,(H2,20,21,22)
InChIKeyMILLSBMQVMEMLL-UHFFFAOYSA-N
XLogP2.07
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.07
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-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409588
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407390
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111840056
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111276558
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-(3-phenoxypropyl)guanidine
CID 111409407
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111409332
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111768889
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407625
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409462
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407673
2-[3-(3,4-dimethoxyphenyl)propyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408901
3-[2-[[N-ethyl-N'-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111631660

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine (CID 111840273) is 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine is CCN/C(=N\CCCOCC1CCCO1)NCCc1ccc(C)nc1.
What is the InChIKey of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The InChIKey is MILLSBMQVMEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-20-19(22-11-9-17-8-7-16(2)23-14-17)21-10-5-12-24-15-18-6-4-13-25-18/h7-8,14,18H,3-6,9-13,15H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine has a molecular weight of 348.49 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111840273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).