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

C15H26N4O — CID 111162173

IUPAC1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCc1cccc(OC)n1
InChIInChI=1S/C15H26N4O/c1-4-5-6-7-11-17-15(16-2)18-12-13-9-8-10-14(19-13)20-3/h8-10H,4-7,11-12H2,1-3H3,(H2,16,17,18)
InChIKeyCGEXNAAWEDSDBZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds8

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

1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine (PubChem CID 111162173) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
PubChem CID111162173
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCc1cccc(OC)n1
InChIInChI=1S/C15H26N4O/c1-4-5-6-7-11-17-15(16-2)18-12-13-9-8-10-14(19-13)20-3/h8-10H,4-7,11-12H2,1-3H3,(H2,16,17,18)
InChIKeyCGEXNAAWEDSDBZ-UHFFFAOYSA-N
XLogP2.34
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
CID 111240247
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227678
1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111240246
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345994
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine
CID 109401113
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111161885
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
1-[2-(2-methoxyphenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111340690
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111232770
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360710

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
The IUPAC name of 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine (CID 111162173) is 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine is CCCCCCN/C(=N\C)NCc1cccc(OC)n1.
What is the InChIKey of 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
The InChIKey is CGEXNAAWEDSDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-5-6-7-11-17-15(16-2)18-12-13-9-8-10-14(19-13)20-3/h8-10H,4-7,11-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine?
1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine has a molecular weight of 278.40 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111162173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).