1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine

C15H26N4OS — CID 111628288

IUPAC1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NCCCCSC
InChIInChI=1S/C15H26N4OS/c1-4-16-15(17-10-5-6-11-21-3)18-12-13-8-7-9-14(19-13)20-2/h7-9H,4-6,10-12H2,1-3H3,(H2,16,17,18)
InChIKeyFYCJMBTWGJFVHB-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.29
Rot. Bonds9

About 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine

1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine (PubChem CID 111628288) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine
PubChem CID111628288
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NCCCCSC
InChIInChI=1S/C15H26N4OS/c1-4-16-15(17-10-5-6-11-21-3)18-12-13-8-7-9-14(19-13)20-2/h7-9H,4-6,10-12H2,1-3H3,(H2,16,17,18)
InChIKeyFYCJMBTWGJFVHB-UHFFFAOYSA-N
XLogP2.29
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.29
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-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943648
1-(3-ethoxypropyl)-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111223374
tert-butyl N-[3-[[N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111887417
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906378
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627497
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110980703
1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110943978
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111362133
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111277097
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111987476
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111389011
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine
CID 109402595

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine?
The IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine (CID 111628288) is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine is CCN/C(=N\Cc1cccc(OC)n1)NCCCCSC.
What is the InChIKey of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine?
The InChIKey is FYCJMBTWGJFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-16-15(17-10-5-6-11-21-3)18-12-13-8-7-9-14(19-13)20-2/h7-9H,4-6,10-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine?
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine has a molecular weight of 310.47 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine is sourced from PubChem (CID 111628288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).