1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine

C16H28N4O2 — CID 111240247

IUPAC1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
SMILESCCCCOCCCN/C(=N\C)NCc1cccc(OC)n1
InChIInChI=1S/C16H28N4O2/c1-4-5-11-22-12-7-10-18-16(17-2)19-13-14-8-6-9-15(20-14)21-3/h6,8-9H,4-5,7,10-13H2,1-3H3,(H2,17,18,19)
InChIKeyFFKISGXEYHOTQG-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.96
Rot. Bonds10

About 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine

1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine (PubChem CID 111240247) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
PubChem CID111240247
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
SMILESCCCCOCCCN/C(=N\C)NCc1cccc(OC)n1
InChIInChI=1S/C16H28N4O2/c1-4-5-11-22-12-7-10-18-16(17-2)19-13-14-8-6-9-15(20-14)21-3/h6,8-9H,4-5,7,10-13H2,1-3H3,(H2,17,18,19)
InChIKeyFFKISGXEYHOTQG-UHFFFAOYSA-N
XLogP1.96
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.96
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-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111240246
1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111162173
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227678
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 110926170
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345994
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
1-(3-butoxypropyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111240924
1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
CID 111239295
1-(3-butoxypropyl)-3-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111238669
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]-2-methylguanidine
CID 111176582
1-tert-butyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 110965149
1-[2-(4-chlorophenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111197035

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
The IUPAC name of 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine (CID 111240247) is 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine is CCCCOCCCN/C(=N\C)NCc1cccc(OC)n1.
What is the InChIKey of 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
The InChIKey is FFKISGXEYHOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-5-11-22-12-7-10-18-16(17-2)19-13-14-8-6-9-15(20-14)21-3/h6,8-9H,4-5,7,10-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine has a molecular weight of 308.43 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111240247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).